8013-1558 Screening compound: 2-chloro-5-{[2-(1H-indol-3-yl)ethyl]sulfamoyl}-N-phenylbenzamide

8013-1558 Screening compound: 2-chloro-5-{[2-(1H-indol-3-yl)ethyl]sulfamoyl}-N-phenylbenzamide
8013-1558 Screening compound: 2-chloro-5-{[2-(1H-indol-3-yl)ethyl]sulfamoyl}-N-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1558
2-chloro-5-{[2-(1H-indol-3-yl)ethyl]sulfamoyl}-N-phenylbenzamide

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

8013-1558

Molecular Formula

C23H20ClN3O3S (C23 H20 ClN3 O3 S)

Compound Name

2-chloro-5-{[2-(1H-indol-3-yl)ethyl]sulfamoyl}-N-phenylbenzamide

IUPAC name

2-chloro-5-{[2-(1H-indol-3-yl)ethyl]sulfamoyl}-N-phenylbenzamide

SMILES

O=C(c(cc(cc1)S(NCCc2c[nH]c3c2cccc3)(=O)=O)c1Cl)Nc1ccccc1

InChI

InChI=1S/C23H20ClN3O3S/c24-21-11-10-18(14-20(21)23(28)27-17-6-2-1-3-7-17)31(29,30)26-13-12-16-15-25-22-9-5-4-8-19(16)22/h1-11,14-15,25-26H,12-13H2,(H,27,28)

InChI Key

NLMIWTXMWVTLPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.731

Distribution Coefficient, logD

4.729

Water Solubility, LogSw

-5.07

Polar Surface Area

74.800

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

8013-1558 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8013-1558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1558?
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What is the minimum amount of 8013-1558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1558
  • 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 8013-1558 available by request