G629-0159 Screening compound: 4-{[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-cyclopropylbenzamide

G629-0159 Screening compound: 4-{[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-cyclopropylbenzamide
G629-0159 Screening compound: 4-{[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-cyclopropylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G629-0159
4-{[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-cyclopropylbenzamide

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

G629-0159

Molecular Formula

C29H26N4O4S (C29 H26 N4 O4 S)

Compound Name

4-{[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-cyclopropylbenzamide

IUPAC name

4-{[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-34-dihydroquinazolin-3-yl]methyl}-N-cyclopropylbenzamide

SMILES

CC(c(cc1)ccc1NC(CSC(N1Cc(cc2)ccc2C(NC2CC2)=O)=Nc(cccc2)c2C1=O)=O)=O

InChI

InChI=1S/C29H26N4O4S/c1-18(34)20-10-12-22(13-11-20)30-26(35)17-38-29-32-25-5-3-2-4-24(25)28(37)33(29)16-19-6-8-21(9-7-19)27(36)31-23-14-15-23/h2-13,23H,14-17H2,1H3,(H,30,35)(H,31,36)

InChI Key

VPMICGIZYUULQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15023667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.150

Distribution Coefficient, logD

3.150

Water Solubility, LogSw

-3.68

Polar Surface Area

87.217

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with G629-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G629-0159?
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What is the minimum amount of G629-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G629-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G629-0159
  • 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 G629-0159 available by request