G629-0139 Screening compound: 4-{[2-({[(2-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-cyclopropylbenzamide

G629-0139 Screening compound: 4-{[2-({[(2-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-cyclopropylbenzamide
G629-0139 Screening compound: 4-{[2-({[(2-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-cyclopropylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G629-0139
4-{[2-({[(2-chloro-4-methylphenyl)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

G629-0139

Molecular Formula

C28H25ClN4O3S (C28 H25 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(Cl)c1NC(CSC(N1Cc(cc2)ccc2C(NC2CC2)=O)=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C28H25ClN4O3S/c1-17-6-13-24(22(29)14-17)31-25(34)16-37-28-32-23-5-3-2-4-21(23)27(36)33(28)15-18-7-9-19(10-8-18)26(35)30-20-11-12-20/h2-10,13-14,20H,11-12,15-16H2,1H3,(H,30,35)(H,31,34)

InChI Key

HWJBUEQYSIJQDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15023649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.05

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.332

Distribution Coefficient, logD

4.332

Water Solubility, LogSw

-4.46

Polar Surface Area

72.692

Acid Dissociation Constant (pKa)

11.01

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

G629-0139 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 G629-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G629-0139?
Check Price and Availability of G629-0139, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G629-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G629-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G629-0139
  • 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 G629-0139 available by request