G629-0133 Screening compound: 4-({2-[(carbamoylmethyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-cyclopropylbenzamide

G629-0133 Screening compound: 4-({2-[(carbamoylmethyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-cyclopropylbenzamide
G629-0133 Screening compound: 4-({2-[(carbamoylmethyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-cyclopropylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G629-0133
4-({2-[(carbamoylmethyl)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

G629-0133

Molecular Formula

C21H20N4O3S (C21 H20 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

NC(CSC(N1Cc(cc2)ccc2C(NC2CC2)=O)=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C21H20N4O3S/c22-18(26)12-29-21-24-17-4-2-1-3-16(17)20(28)25(21)11-13-5-7-14(8-6-13)19(27)23-15-9-10-15/h1-8,15H,9-12H2,(H2,22,26)(H,23,27)

InChI Key

KPQLSJAYOAMGPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09249550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.447

Distribution Coefficient, logD

1.447

Water Solubility, LogSw

-2.51

Polar Surface Area

83.900

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with G629-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G629-0133?
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What is the minimum amount of G629-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G629-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G629-0133
  • 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 G629-0133 available by request