C795-0404 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide

C795-0404 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide
C795-0404 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0404
3-[(4-chlorophenyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-1H-indole-2-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

C795-0404

Molecular Formula

C23H19ClN2O2S (C23 H19 ClN2 O2 S)

Compound Name

3-[(4-chlorophenyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide

IUPAC name

3-[(4-chlorophenyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide

SMILES

COc1c(CNC(c([nH]c2c3cccc2)c3Sc(cc2)ccc2Cl)=O)cccc1

InChI

InChI=1S/C23H19ClN2O2S/c1-28-20-9-5-2-6-15(20)14-25-23(27)21-22(18-7-3-4-8-19(18)26-21)29-17-12-10-16(24)11-13-17/h2-13,26H,14H2,1H3,(H,25,27)

InChI Key

ZUNHMUGMIBBKTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.93

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.659

Distribution Coefficient, logD

5.659

Water Solubility, LogSw

-6.03

Polar Surface Area

42.130

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C795-0404 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C795-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0404?
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What is the minimum amount of C795-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0404
  • 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 C795-0404 available by request