C797-0801 Screening compound: N~6~-benzyl-2-[(4-fluorobenzyl)sulfanyl]-1-methyl-1H-1,3-benzimidazole-6-carboxamide

C797-0801 Screening compound: N~6~-benzyl-2-[(4-fluorobenzyl)sulfanyl]-1-methyl-1H-1,3-benzimidazole-6-carboxamide
C797-0801 Screening compound: N~6~-benzyl-2-[(4-fluorobenzyl)sulfanyl]-1-methyl-1H-1,3-benzimidazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0801
N~6~-benzyl-2-[(4-fluorobenzyl)sulfanyl]-1-methyl-1H-1,3-benzimidazole-6-carboxamide

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

C797-0801

Molecular Formula

C23H20FN3OS (C23 H20 FN3 OS)

Compound Name

N~6~-benzyl-2-[(4-fluorobenzyl)sulfanyl]-1-methyl-1H-1,3-benzimidazole-6-carboxamide

IUPAC name

n/a

SMILES

Cn1c(SCc(cc2)ccc2F)nc(cc2)c1cc2C(NCc1ccccc1)=O

InChI

InChI=1S/C23H20FN3OS/c1-27-21-13-18(22(28)25-14-16-5-3-2-4-6-16)9-12-20(21)26-23(27)29-15-17-7-10-19(24)11-8-17/h2-13H,14-15H2,1H3,(H,25,28)

InChI Key

ZOBKEQILQBFRPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.488

Distribution Coefficient, logD

4.488

Water Solubility, LogSw

-4.33

Polar Surface Area

35.972

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

3.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C797-0801 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C797-0801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0801?
Check Price and Availability of C797-0801, 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 C797-0801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0801
  • 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 C797-0801 available by request