C797-0664 Screening compound: 4-[({3-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[3-(propan-2-yloxy)propyl]benzamide

C797-0664 Screening compound: 4-[({3-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[3-(propan-2-yloxy)propyl]benzamide
C797-0664 Screening compound: 4-[({3-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[3-(propan-2-yloxy)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0664
4-[({3-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[3-(propan-2-yloxy)propyl]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

C797-0664

Molecular Formula

C27H29FN4O2S (C27 H29 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C27H29FN4O2S/c1-19(2)34-15-5-13-30-26(33)21-10-8-20(9-11-21)18-35-27-31-24-12-14-29-16-25(24)32(27)17-22-6-3-4-7-23(22)28/h3-4,6-12,14,16,19H,5,13,15,17-18H2,1-2H3,(H,30,33)

InChI Key

AQJDIHCQEDPSPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.505

Distribution Coefficient, logD

4.503

Water Solubility, LogSw

-4.05

Polar Surface Area

51.723

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C797-0664 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with C797-0664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0664?
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What is the minimum amount of C797-0664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0664
  • 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 C797-0664 available by request