G629-0200 Screening compound: 4-({2-[(cyanomethyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-(3-methylbutyl)benzamide

G629-0200 Screening compound: 4-({2-[(cyanomethyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-(3-methylbutyl)benzamide
G629-0200 Screening compound: 4-({2-[(cyanomethyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-(3-methylbutyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G629-0200
4-({2-[(cyanomethyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-(3-methylbutyl)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

G629-0200

Molecular Formula

C23H24N4O2S (C23 H24 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H24N4O2S/c1-16(2)11-13-25-21(28)18-9-7-17(8-10-18)15-27-22(29)19-5-3-4-6-20(19)26-23(27)30-14-12-24/h3-10,16H,11,13-15H2,1-2H3,(H,25,28)

InChI Key

OHFOEAOBLHBTEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15023704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.277

Distribution Coefficient, logD

3.277

Water Solubility, LogSw

-3.81

Polar Surface Area

68.061

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with G629-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G629-0200?
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What is the minimum amount of G629-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G629-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G629-0200
  • 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 G629-0200 available by request