G864-0079 Screening compound: N-(3-chloro-4-methylphenyl)-2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide

G864-0079 Screening compound: N-(3-chloro-4-methylphenyl)-2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide
G864-0079 Screening compound: N-(3-chloro-4-methylphenyl)-2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G864-0079
N-(3-chloro-4-methylphenyl)-2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide

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

G864-0079

Molecular Formula

C21H19ClN4O2S (C21 H19 ClN4 O2 S)

Compound Name

N-(3-chloro-4-methylphenyl)-2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide

IUPAC name

N-(3-chloro-4-methylphenyl)-2-({3-ethyl-4-oxo-3H4H5H-pyrimido[54-b]indol-2-yl}sulfanyl)acetamide

SMILES

CCN(C1=O)C(SCC(Nc2cc(Cl)c(C)cc2)=O)=Nc2c1[nH]c1c2cccc1

InChI

InChI=1S/C21H19ClN4O2S/c1-3-26-20(28)19-18(14-6-4-5-7-16(14)24-19)25-21(26)29-11-17(27)23-13-9-8-12(2)15(22)10-13/h4-10,24H,3,11H2,1-2H3,(H,23,27)

InChI Key

BPJCBTFXPORFEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05952218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.677

Distribution Coefficient, logD

4.677

Water Solubility, LogSw

-4.82

Polar Surface Area

56.875

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G864-0079 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G864-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G864-0079?
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What is the minimum amount of G864-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G864-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G864-0079
  • 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 G864-0079 available by request