C797-0681 Screening compound: 4-[({3-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[(thiophen-2-yl)methyl]benzamide

C797-0681 Screening compound: 4-[({3-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[(thiophen-2-yl)methyl]benzamide
C797-0681 Screening compound: 4-[({3-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[(thiophen-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0681
4-[({3-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[(thiophen-2-yl)methyl]benzamide

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

C797-0681

Molecular Formula

C26H21FN4OS2 (C26 H21 FN4 OS2)

Compound Name

4-[({3-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[(thiophen-2-yl)methyl]benzamide

IUPAC name

4-[({3-[(2-fluorophenyl)methyl]-3H-imidazo[45-c]pyridin-2-yl}sulfanyl)methyl]-N-[(thiophen-2-yl)methyl]benzamide

SMILES

O=C(c1ccc(CSc2nc(ccnc3)c3n2Cc(cccc2)c2F)cc1)NCc1cccs1

InChI

InChI=1S/C26H21FN4OS2/c27-22-6-2-1-4-20(22)16-31-24-15-28-12-11-23(24)30-26(31)34-17-18-7-9-19(10-8-18)25(32)29-14-21-5-3-13-33-21/h1-13,15H,14,16-17H2,(H,29,32)

InChI Key

PJOGDYZSGSKSTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.314

Distribution Coefficient, logD

5.312

Water Solubility, LogSw

-5.38

Polar Surface Area

45.427

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

C797-0681 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C797-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0681?
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What is the minimum amount of C797-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0681
  • 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 C797-0681 available by request