G864-0156 Screening compound: 3-(2-methoxyethyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one

G864-0156 Screening compound: 3-(2-methoxyethyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one
G864-0156 Screening compound: 3-(2-methoxyethyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G864-0156
3-(2-methoxyethyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one

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

G864-0156

Molecular Formula

C21H21N3O2S (C21 H21 N3 O2 S)

Compound Name

3-(2-methoxyethyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

3-(2-methoxyethyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-3H4H5H-pyrimido[54-b]indol-4-one

SMILES

Cc1cccc(CSC(N(CCOC)C2=O)=Nc3c2[nH]c2c3cccc2)c1

InChI

InChI=1S/C21H21N3O2S/c1-14-6-5-7-15(12-14)13-27-21-23-18-16-8-3-4-9-17(16)22-19(18)20(25)24(21)10-11-26-2/h3-9,12,22H,10-11,13H2,1-2H3

InChI Key

GEJGOMIFGMMXQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05952332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.056

Distribution Coefficient, logD

4.056

Water Solubility, LogSw

-4.14

Polar Surface Area

42.322

Acid Dissociation Constant (pKa)

15.40

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G864-0156 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 G864-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G864-0156?
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What is the minimum amount of G864-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G864-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G864-0156
  • 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 G864-0156 available by request