3-[3-({[(2R,3S,4R,5R)-5-{4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-3,4-dihydroxyoxolan-2-yl]methyl}(propan-2-yl)amino)propyl]-1-(4-tert-butylphenyl)urea

Compound number:
MolPort-028-720-498
CAS number: 1561178-17-3
IUPAC:
3-[3-({[(2R,3S,4R,5R)-5-{4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-3,4-dihydroxyoxolan-2-yl]methyl}(propan-2-yl)amino)propyl]-1-(4-tert-butylphenyl)urea
IUPAC traditional:
3-[3-({[(2R,3S,4R,5R)-5-{4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl}-3,4-dihydroxyoxolan-2-yl]methyl}(isopropyl)amino)propyl]-1-(4-tert-butylphenyl)urea
SMILES:
CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12 |r|
InChI key:
IQCKJUKAQJINMK-HUBRGWSESA-N
Molecular formula:
C28H40BrN7O4
Molecular weight: 618.577
Solubility: not available
Sample Reformatting

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Catalog: Screening compound Ships out: 7 business days Purity: 99.68%
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10 mg November 22, 2019 135.70 USD
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50 mg November 22, 2019 541.62 USD
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50 mg November 22, 2019 907.20 USD
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Catalog: Screening compound Ships out: 20 business days Purity: >=98%
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25 mg December 11, 2019 46.02 USD
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Catalog: Building blocks Ships out: 10 business days Purity: 98%
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5 mg November 27, 2019 179.00 USD
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10 mg November 27, 2019 257.00 USD
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50 mg November 27, 2019 800.00 USD
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Catalog: Made to order Ships out: 20 business days Purity: 98+%
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2 mg December 11, 2019 116.00 USD
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5 mg December 11, 2019 143.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-028-720-498
CAS number: 1561178-17-3

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000097956664
MFCD26523136
3-[3-({[(2R,3S,4R,5R)-5-{4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-3,4-dihydroxyoxolan-2-yl]methyl}(propan-2-yl)amino)propyl]-1-(4-tert-butylphenyl)urea
5-Bromo-7-[5-deoxy-5-[[3-[[[[4-(1,1-dimethylethyl)phenyl]amino]carbonyl]amino]propyl](1-methylethyl)amino]-beta-D-7H-pyrrolo[2,3-d]pyrimidin-4-amine
5-bromo-7-[5-deoxy-5-[[3-[[[[4-(1,1-dimethylethyl)phenyl]amino]carbonyl]amino]propyl](1-methylethyl)amino]-?-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 5-bromo-7-[5-deoxy-5-[[3-[[[[4-(1,1-dimethylethyl)phenyl]amino]carbonyl]amino]propyl](1-methylethyl)amino]-β-D-ribofuranosyl]-
SGC 0946
SGC0946

InChI
InChI: 1S/C28H40BrN7O4/c1-16(2)35(12-6-11-31-27(39)34-18-9-7-17(8-10-18)28(3,4)5)14-20-22(37)23(38)26(40-20)36-13-19(29)21-24(30)32-15-33-25(21)36/h7-10,13,15-16,20,22-23,26,37-38H,6,11-12,14H2,1-5H3,(H2,30,32,33)(H2,31,34,39)/t20-,22-,23-,26-/m1/s1
InChI key: IQCKJUKAQJINMK-HUBRGWSESA-N

Calculated Properties
Molecular formula: C28H40BrN7O4
Molecular weight: 618.577

Other

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2019 MolPort, v3.26, release date 12-11-2019 13:00 (+0200). All rights reserved.
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