G864-0235 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide

G864-0235 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
G864-0235 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G864-0235
N-(5-methyl-1,2-oxazol-3-yl)-2-{[4-oxo-3-(prop-2-en-1-yl)-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

G864-0235

Molecular Formula

C19H17N5O3S (C19 H17 N5 O3 S)

Compound Name

N-(5-methyl-1,2-oxazol-3-yl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide

IUPAC name

N-(5-methyl-12-oxazol-3-yl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3H4H5H-pyrimido[54-b]indol-2-yl]sulfanyl}acetamide

SMILES

Cc1cc(NC(CSC(N(CC=C)C2=O)=Nc3c2[nH]c2c3cccc2)=O)no1

InChI

InChI=1S/C19H17N5O3S/c1-3-8-24-18(26)17-16(12-6-4-5-7-13(12)20-17)22-19(24)28-10-15(25)21-14-9-11(2)27-23-14/h3-7,9,20H,1,8,10H2,2H3,(H,21,23,25)

InChI Key

ZKFJVSXQMZMYRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05952469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.847

Distribution Coefficient, logD

2.835

Water Solubility, LogSw

-3.35

Polar Surface Area

78.924

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

G864-0235 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

DGK Inhibitors Library (10558 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with G864-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G864-0235?
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What is the minimum amount of G864-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G864-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G864-0235
  • 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 G864-0235 available by request