C797-0526 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-N-[(3-methoxyphenyl)methyl]-1-methyl-1H-1,3-benzodiazole-6-carboxamide

C797-0526 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-N-[(3-methoxyphenyl)methyl]-1-methyl-1H-1,3-benzodiazole-6-carboxamide
C797-0526 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-N-[(3-methoxyphenyl)methyl]-1-methyl-1H-1,3-benzodiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0526
2-{[(4-fluorophenyl)methyl]sulfanyl}-N-[(3-methoxyphenyl)methyl]-1-methyl-1H-1,3-benzodiazole-6-carboxamide

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

C797-0526

Molecular Formula

C24H22FN3O2S (C24 H22 FN3 O2 S)

Compound Name

2-{[(4-fluorophenyl)methyl]sulfanyl}-N-[(3-methoxyphenyl)methyl]-1-methyl-1H-1,3-benzodiazole-6-carboxamide

IUPAC name

2-{[(4-fluorophenyl)methyl]sulfanyl}-N-[(3-methoxyphenyl)methyl]-1-methyl-1H-13-benzodiazole-6-carboxamide

SMILES

Cn1c(SCc(cc2)ccc2F)nc(cc2)c1cc2C(NCc1cc(OC)ccc1)=O

InChI

InChI=1S/C24H22FN3O2S/c1-28-22-13-18(23(29)26-14-17-4-3-5-20(12-17)30-2)8-11-21(22)27-24(28)31-15-16-6-9-19(25)10-7-16/h3-13H,14-15H2,1-2H3,(H,26,29)

InChI Key

VOUPSXVSAUKSJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.585

Distribution Coefficient, logD

4.585

Water Solubility, LogSw

-4.48

Polar Surface Area

43.516

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

3.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C797-0526 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C797-0526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0526?
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What is the minimum amount of C797-0526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0526
  • 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 C797-0526 available by request