C797-0527 Screening compound: methyl 4-[({3-[(3-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoate

C797-0527 Screening compound: methyl 4-[({3-[(3-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoate
C797-0527 Screening compound: methyl 4-[({3-[(3-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0527
methyl 4-[({3-[(3-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoate

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

C797-0527

Molecular Formula

C22H18FN3O2S (C22 H18 FN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c1ccc(CSc2nc(ccnc3)c3n2Cc2cc(F)ccc2)cc1)=O

InChI

InChI=1S/C22H18FN3O2S/c1-28-21(27)17-7-5-15(6-8-17)14-29-22-25-19-9-10-24-12-20(19)26(22)13-16-3-2-4-18(23)11-16/h2-12H,13-14H2,1H3

InChI Key

NJDDUVWAVLCVRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.777

Distribution Coefficient, logD

4.774

Water Solubility, LogSw

-4.54

Polar Surface Area

41.169

Acid Dissociation Constant (pKa)

22.56

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C797-0527 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C797-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0527?
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What is the minimum amount of C797-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0527
  • 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 C797-0527 available by request