C797-1056 Screening compound: 4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]benzamide

C797-1056 Screening compound: 4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]benzamide
C797-1056 Screening compound: 4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1056
4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]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

C797-1056

Molecular Formula

C28H30FN5OS (C28 H30 FN5 OS)

Compound Name

4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]benzamide

IUPAC name

4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[45-c]pyridin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]benzamide

SMILES

O=C(c1ccc(Cn2c(SCc(cc3)ccc3F)nc3c2cncc3)cc1)NCCN1CCCCC1

InChI

InChI=1S/C28H30FN5OS/c29-24-10-6-22(7-11-24)20-36-28-32-25-12-13-30-18-26(25)34(28)19-21-4-8-23(9-5-21)27(35)31-14-17-33-15-2-1-3-16-33/h4-13,18H,1-3,14-17,19-20H2,(H,31,35)

InChI Key

WSERYLKBINZIQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.269

Distribution Coefficient, logD

3.269

Water Solubility, LogSw

-3.94

Polar Surface Area

48.233

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

8.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

C797-1056 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C797-1056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1056?
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What is the minimum amount of C797-1056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1056
  • 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 C797-1056 available by request