N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide



Compound number:
MolPort-006-394-712
CAS number: 336113-53-2; 336113-53-2
IUPAC:
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide
IUPAC traditional:
ispinesib
SMILES:
CC(C)[[email protected]@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 |r|
InChI key:
QJZRFPJCWMNVAV-HHHXNRCGSA-N
Molecular formula:
C30H33ClN4O2
Molecular weight: 517.07
Solubility: not available

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Catalog: Screening compound Ships out: 2 business days Purity: 99.00
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5 mg May 13, 2021 141.90 USD
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25 mg May 13, 2021 490.20 USD
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Catalog: Screening compound Ships out: 15 business days Purity: > 98%
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50 mg June 1, 2021 1372.56 USD
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Catalog: Screening compound Ships out: 6 business days Purity: n/a
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10 mg May 19, 2021 405.06 USD
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10 mg May 25, 2021 627.00 USD
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Catalog: Building blocks Ships out: 11 business days Purity: 98+%
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0.01 g May 26, 2021 243.00 USD
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Catalog: Building blocks Ships out: 5 business days Purity: ≥98%
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10 mg May 18, 2021 337.00 USD
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Catalog: Building blocks Ships out: 8 business days Purity: ≥98%
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10 mg May 21, 2021 207.00 USD
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Catalog: Building blocks Ships out: 11 business days Purity: 99%
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0.01 g May 26, 2021 284.00 USD
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0.05 g May 26, 2021 701.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-006-394-712
CAS number: 336113-53-2; 336113-53-2

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000011680799
(R)-N-(3-aminopropyl)-N-(1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl)-4-methylbenzamide
Benzamide, N-(3-aminopropyl)-N-[(1R)-1-[7-chloro-3,4-dihydro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]-2-methylpropyl]-4-methyl-
Ispinesib (SB-715992)
Ispinesib mesilate(SB-715992)
N-?(3-?aminopropyl)?-?N-?[(1R)?-?1-?[7-?chloro-?3,?4-?dihydro-?4-?oxo-?3-?(phenylmethyl)?-?2-?quinazolinyl]?-?2-?methylpropyl]?-?4-?methyl-benzamide
SB-715992, CK0238273
SB715992(Ispinesib)
MFCD22628831

InChI
InChI: 1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1
InChI key: QJZRFPJCWMNVAV-HHHXNRCGSA-N

Calculated Properties
Molecular formula: C30H33ClN4O2
Molecular weight: 517.07

Other

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