G629-0242 Screening compound: 4-({2-[(cyanomethyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-(2-methoxyethyl)benzamide

G629-0242 Screening compound: 4-({2-[(cyanomethyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-(2-methoxyethyl)benzamide
G629-0242 Screening compound: 4-({2-[(cyanomethyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-(2-methoxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G629-0242
4-({2-[(cyanomethyl)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

G629-0242

Molecular Formula

C21H20N4O3S (C21 H20 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H20N4O3S/c1-28-12-11-23-19(26)16-8-6-15(7-9-16)14-25-20(27)17-4-2-3-5-18(17)24-21(25)29-13-10-22/h2-9H,11-14H2,1H3,(H,23,26)

InChI Key

OJKCEFCLJYDFIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09249557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.744

Distribution Coefficient, logD

1.744

Water Solubility, LogSw

-2.74

Polar Surface Area

76.403

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with G629-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G629-0242?
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What is the minimum amount of G629-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G629-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G629-0242
  • 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 G629-0242 available by request