8013-1544 Screening compound: 3-(4-chlorobenzenesulfonyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzene-1-sulfonamide

8013-1544 Screening compound: 3-(4-chlorobenzenesulfonyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzene-1-sulfonamide
8013-1544 Screening compound: 3-(4-chlorobenzenesulfonyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1544
3-(4-chlorobenzenesulfonyl)-N-[2-(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

8013-1544

Molecular Formula

C23H21ClN2O4S2 (C23 H21 ClN2 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CCNS(c2cccc(S(c(cc3)ccc3Cl)(=O)=O)c2)(=O)=O)c(cccc2)c2[nH]1

InChI

InChI=1S/C23H21ClN2O4S2/c1-16-21(22-7-2-3-8-23(22)26-16)13-14-25-32(29,30)20-6-4-5-19(15-20)31(27,28)18-11-9-17(24)10-12-18/h2-12,15,25-26H,13-14H2,1H3

InChI Key

HFEDEONIIUZLIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.02

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.996

Distribution Coefficient, logD

4.996

Water Solubility, LogSw

-5.09

Polar Surface Area

81.265

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

8013-1544 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-1544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1544?
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What is the minimum amount of 8013-1544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1544
  • 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 8013-1544 available by request