G629-0082 Screening compound: 4-({2-[(carbamoylmethyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-(propan-2-yl)benzamide

G629-0082 Screening compound: 4-({2-[(carbamoylmethyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-(propan-2-yl)benzamide
G629-0082 Screening compound: 4-({2-[(carbamoylmethyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G629-0082
4-({2-[(carbamoylmethyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-(propan-2-yl)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

G629-0082

Molecular Formula

C21H22N4O3S (C21 H22 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC(c1ccc(CN2C(SCC(N)=O)=Nc(cccc3)c3C2=O)cc1)=O

InChI

InChI=1S/C21H22N4O3S/c1-13(2)23-19(27)15-9-7-14(8-10-15)11-25-20(28)16-5-3-4-6-17(16)24-21(25)29-12-18(22)26/h3-10,13H,11-12H2,1-2H3,(H2,22,26)(H,23,27)

InChI Key

YHQHQQUFPCTCFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09249546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.5

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

1.655

Distribution Coefficient, logD

1.655

Water Solubility, LogSw

-2.76

Polar Surface Area

83.090

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G629-0082 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G629-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G629-0082?
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What is the minimum amount of G629-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G629-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G629-0082
  • 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 G629-0082 available by request