8013-2321 Screening compound: 4-cyclohexyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzene-1-sulfonamide

8013-2321 Screening compound: 4-cyclohexyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzene-1-sulfonamide
8013-2321 Screening compound: 4-cyclohexyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2321
4-cyclohexyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzene-1-sulfonamide

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

8013-2321

Molecular Formula

C24H30N2O3S (C24 H30 N2 O3 S)

Compound Name

4-cyclohexyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzene-1-sulfonamide

IUPAC name

4-cyclohexyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzene-1-sulfonamide

SMILES

Cc1c(CCNS(c2ccc(C3CCCCC3)cc2)(=O)=O)c(cc(cc2)OC)c2[nH]1

InChI

InChI=1S/C24H30N2O3S/c1-17-22(23-16-20(29-2)10-13-24(23)26-17)14-15-25-30(27,28)21-11-8-19(9-12-21)18-6-4-3-5-7-18/h8-13,16,18,25-26H,3-7,14-15H2,1-2H3

InChI Key

MLBZFWMYSVVWMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.115

Distribution Coefficient, logD

6.115

Water Solubility, LogSw

-5.55

Polar Surface Area

59.229

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

8013-2321 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8013-2321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2321?
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What is the minimum amount of 8013-2321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2321
  • 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 8013-2321 available by request