D718-1167 Screening compound: ethyl 3-oxo-4-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)butanoate

D718-1167 Screening compound: ethyl 3-oxo-4-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)butanoate
D718-1167 Screening compound: ethyl 3-oxo-4-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1167
ethyl 3-oxo-4-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)butanoate

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

D718-1167

Molecular Formula

C14H14N4O3S (C14 H14 N4 O3 S)

Compound Name

ethyl 3-oxo-4-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)butanoate

IUPAC name

ethyl 3-oxo-4-{2457-tetraazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaen-3-ylsulfanyl}butanoate

SMILES

CCOC(CC(CSc1nnc2n1c(cccc1)c1[nH]2)=O)=O

InChI

InChI=1S/C14H14N4O3S/c1-2-21-12(20)7-9(19)8-22-14-17-16-13-15-10-5-3-4-6-11(10)18(13)14/h3-6H,2,7-8H2,1H3,(H,15,16)

InChI Key

FMFCCQCKYNJWOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09430890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.319

Distribution Coefficient, logD

1.318

Water Solubility, LogSw

-2.27

Polar Surface Area

65.316

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D718-1167 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Structure:
  • Mimetics
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D718-1167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1167?
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What is the minimum amount of D718-1167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1167
  • 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 D718-1167 available by request