G858-0021 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

G858-0021 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
G858-0021 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G858-0021
2-{[(2-chlorophenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-N-(2-methoxyethyl)-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

G858-0021

Molecular Formula

C25H21ClFN3O3S (C25 H21 ClFN3 O3 S)

Compound Name

2-{[(2-chlorophenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

2-{[(2-chlorophenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxo-34-dihydroquinazoline-7-carboxamide

SMILES

COCCNC(c(cc1)cc(N=C(N2c3cc(F)ccc3)SCc(cccc3)c3Cl)c1C2=O)=O

InChI

InChI=1S/C25H21ClFN3O3S/c1-33-12-11-28-23(31)16-9-10-20-22(13-16)29-25(34-15-17-5-2-3-8-21(17)26)30(24(20)32)19-7-4-6-18(27)14-19/h2-10,13-14H,11-12,15H2,1H3,(H,28,31)

InChI Key

MGGFSQPBPLYFDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.221

Distribution Coefficient, logD

4.221

Water Solubility, LogSw

-4.46

Polar Surface Area

58.028

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with G858-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G858-0021?
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What is the minimum amount of G858-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G858-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G858-0021
  • 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 G858-0021 available by request