G858-0433 Screening compound: 2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

G858-0433 Screening compound: 2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
G858-0433 Screening compound: 2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G858-0433
2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

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

G858-0433

Molecular Formula

C23H24N4O4S (C23 H24 N4 O4 S)

Compound Name

2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

2-[(cyanomethyl)sulfanyl]-3-(35-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxo-34-dihydroquinazoline-7-carboxamide

SMILES

CC(C)CNC(c(cc1)cc(N=C(N2c3cc(OC)cc(OC)c3)SCC#N)c1C2=O)=O

InChI

InChI=1S/C23H24N4O4S/c1-14(2)13-25-21(28)15-5-6-19-20(9-15)26-23(32-8-7-24)27(22(19)29)16-10-17(30-3)12-18(11-16)31-4/h5-6,9-12,14H,8,13H2,1-4H3,(H,25,28)

InChI Key

ANJKBLJBYPTADQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.965

Distribution Coefficient, logD

2.965

Water Solubility, LogSw

-3.57

Polar Surface Area

82.695

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with G858-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G858-0433?
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What is the minimum amount of G858-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G858-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G858-0433
  • 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 G858-0433 available by request