G629-0267 Screening compound: 4-({2-[(carbamoylmethyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-(2-methoxyethyl)benzamide

G629-0267 Screening compound: 4-({2-[(carbamoylmethyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-(2-methoxyethyl)benzamide
G629-0267 Screening compound: 4-({2-[(carbamoylmethyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-(2-methoxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G629-0267
4-({2-[(carbamoylmethyl)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

G629-0267

Molecular Formula

C21H22N4O4S (C21 H22 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COCCNC(c1ccc(CN2C(SCC(N)=O)=Nc(cccc3)c3C2=O)cc1)=O

InChI

InChI=1S/C21H22N4O4S/c1-29-11-10-23-19(27)15-8-6-14(7-9-15)12-25-20(28)16-4-2-3-5-17(16)24-21(25)30-13-18(22)26/h2-9H,10-13H2,1H3,(H2,22,26)(H,23,27)

InChI Key

OHJGYRHGMJFBOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09249563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.994

Distribution Coefficient, logD

0.994

Water Solubility, LogSw

-2.40

Polar Surface Area

92.299

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G629-0267 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

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 G629-0267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G629-0267?
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What is the minimum amount of G629-0267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G629-0267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G629-0267
  • 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 G629-0267 available by request