G629-0193 Screening compound: N-cyclopentyl-4-[(2-{[(4-ethenylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]benzamide

G629-0193 Screening compound: N-cyclopentyl-4-[(2-{[(4-ethenylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]benzamide
G629-0193 Screening compound: N-cyclopentyl-4-[(2-{[(4-ethenylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G629-0193
N-cyclopentyl-4-[(2-{[(4-ethenylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G629-0193

Molecular Formula

C30H29N3O2S (C30 H29 N3 O2 S)

Compound Name

N-cyclopentyl-4-[(2-{[(4-ethenylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]benzamide

IUPAC name

N-cyclopentyl-4-[(2-{[(4-ethenylphenyl)methyl]sulfanyl}-4-oxo-34-dihydroquinazolin-3-yl)methyl]benzamide

SMILES

C=Cc1ccc(CSC(N2Cc(cc3)ccc3C(NC3CCCC3)=O)=Nc(cccc3)c3C2=O)cc1

InChI

InChI=1S/C30H29N3O2S/c1-2-21-11-13-23(14-12-21)20-36-30-32-27-10-6-5-9-26(27)29(35)33(30)19-22-15-17-24(18-16-22)28(34)31-25-7-3-4-8-25/h2,5-6,9-18,25H,1,3-4,7-8,19-20H2,(H,31,34)

InChI Key

QJFYMIFSDMDKDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15023698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.459

Distribution Coefficient, logD

5.459

Water Solubility, LogSw

-5.70

Polar Surface Area

50.276

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

G629-0193 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G629-0193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G629-0193?
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What is the minimum amount of G629-0193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G629-0193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G629-0193
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G629-0193 available by request