G629-0259 Screening compound: 4-{[2-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(2-methoxyethyl)benzamide

G629-0259 Screening compound: 4-{[2-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(2-methoxyethyl)benzamide
G629-0259 Screening compound: 4-{[2-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(2-methoxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G629-0259
4-{[2-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(2-methoxyethyl)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

G629-0259

Molecular Formula

C29H30N4O4S (C29 H30 N4 O4 S)

Compound Name

4-{[2-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(2-methoxyethyl)benzamide

IUPAC name

4-{[2-({[(34-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-34-dihydroquinazolin-3-yl]methyl}-N-(2-methoxyethyl)benzamide

SMILES

Cc(cc1)c(C)cc1NC(CSC(N1Cc(cc2)ccc2C(NCCOC)=O)=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C29H30N4O4S/c1-19-8-13-23(16-20(19)2)31-26(34)18-38-29-32-25-7-5-4-6-24(25)28(36)33(29)17-21-9-11-22(12-10-21)27(35)30-14-15-37-3/h4-13,16H,14-15,17-18H2,1-3H3,(H,30,35)(H,31,34)

InChI Key

LVXATGITRUUMNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15023749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.143

Distribution Coefficient, logD

4.143

Water Solubility, LogSw

-4.23

Polar Surface Area

81.789

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

G629-0259 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G629-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G629-0259?
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What is the minimum amount of G629-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G629-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G629-0259
  • 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 G629-0259 available by request