C797-0083 Screening compound: methyl 4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoate

C797-0083 Screening compound: methyl 4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoate
C797-0083 Screening compound: methyl 4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0083
methyl 4-[({3-[(4-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

C797-0083

Molecular Formula

C22H18FN3O2S (C22 H18 FN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c1ccc(CSc2nc(ccnc3)c3n2Cc(cc2)ccc2F)cc1)=O

InChI

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

InChI Key

QNSCAWZTXNUGAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14280499

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

4.684

Distribution Coefficient, logD

4.680

Water Solubility, LogSw

-4.29

Polar Surface Area

41.169

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C797-0083 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 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:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C797-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0083?
Check Price and Availability of C797-0083, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C797-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0083
  • 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 C797-0083 available by request