G629-0036 Screening compound: 4-{[2-({[(2,4-difluorophenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-propylbenzamide

G629-0036 Screening compound: 4-{[2-({[(2,4-difluorophenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-propylbenzamide
G629-0036 Screening compound: 4-{[2-({[(2,4-difluorophenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-propylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G629-0036
4-{[2-({[(2,4-difluorophenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-propylbenzamide

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

G629-0036

Molecular Formula

C27H24F2N4O3S (C27 H24 F2 N4 O3 S)

Compound Name

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

IUPAC name

4-{[2-({[(24-difluorophenyl)carbamoyl]methyl}sulfanyl)-4-oxo-34-dihydroquinazolin-3-yl]methyl}-N-propylbenzamide

SMILES

CCCNC(c1ccc(CN2C(SCC(Nc(ccc(F)c3)c3F)=O)=Nc(cccc3)c3C2=O)cc1)=O

InChI

InChI=1S/C27H24F2N4O3S/c1-2-13-30-25(35)18-9-7-17(8-10-18)15-33-26(36)20-5-3-4-6-22(20)32-27(33)37-16-24(34)31-23-12-11-19(28)14-21(23)29/h3-12,14H,2,13,15-16H2,1H3,(H,30,35)(H,31,34)

InChI Key

MTYQBHYNBUWSOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15023560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.804

Distribution Coefficient, logD

3.799

Water Solubility, LogSw

-3.88

Polar Surface Area

72.749

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with G629-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G629-0036?
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What is the minimum amount of G629-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G629-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G629-0036
  • 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 G629-0036 available by request