C797-0845 Screening compound: N~6~-(1-benzyl-4-piperidyl)-2-[(4-fluorobenzyl)sulfanyl]-1-methyl-1H-1,3-benzimidazole-6-carboxamide

C797-0845 Screening compound: N~6~-(1-benzyl-4-piperidyl)-2-[(4-fluorobenzyl)sulfanyl]-1-methyl-1H-1,3-benzimidazole-6-carboxamide
C797-0845 Screening compound: N~6~-(1-benzyl-4-piperidyl)-2-[(4-fluorobenzyl)sulfanyl]-1-methyl-1H-1,3-benzimidazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0845
N~6~-(1-benzyl-4-piperidyl)-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

C797-0845

Molecular Formula

C28H29FN4OS (C28 H29 FN4 OS)

Compound Name

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

IUPAC name

n/a

SMILES

Cn1c(SCc(cc2)ccc2F)nc(cc2)c1cc2C(NC1CCN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C28H29FN4OS/c1-32-26-17-22(9-12-25(26)31-28(32)35-19-21-7-10-23(29)11-8-21)27(34)30-24-13-15-33(16-14-24)18-20-5-3-2-4-6-20/h2-12,17,24H,13-16,18-19H2,1H3,(H,30,34)

InChI Key

LHTZAFUDKPYOLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.725

Distribution Coefficient, logD

3.279

Water Solubility, LogSw

-4.47

Polar Surface Area

39.238

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C797-0845 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C797-0845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0845?
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What is the minimum amount of C797-0845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0845
  • 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 C797-0845 available by request