D718-1171 Screening compound: 1-phenyl-2-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)-1-ethanone

D718-1171 Screening compound: 1-phenyl-2-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)-1-ethanone
D718-1171 Screening compound: 1-phenyl-2-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1171
1-phenyl-2-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)-1-ethanone

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

D718-1171

Molecular Formula

C16H12N4OS (C16 H12 N4 OS)

Compound Name

1-phenyl-2-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)-1-ethanone

IUPAC name

1-phenyl-2-{2457-tetraazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaen-3-ylsulfanyl}ethan-1-one

SMILES

O=C(CSc1nnc2n1c(cccc1)c1[nH]2)c1ccccc1

InChI

InChI=1S/C16H12N4OS/c21-14(11-6-2-1-3-7-11)10-22-16-19-18-15-17-12-8-4-5-9-13(12)20(15)16/h1-9H,10H2,(H,17,18)

InChI Key

NGWKFRMEJOZAAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07882226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.543

Distribution Coefficient, logD

2.543

Water Solubility, LogSw

-2.70

Polar Surface Area

45.378

Acid Dissociation Constant (pKa)

15.78

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

D718-1171 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

DGK Inhibitors Library (10558 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with D718-1171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1171?
Check Price and Availability of D718-1171, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D718-1171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1171
  • 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 D718-1171 available by request