Y040-4681 Screening compound: 4-(benzenesulfonamidomethyl)-N-(1H-indol-5-yl)benzamide

Y040-4681 Screening compound: 4-(benzenesulfonamidomethyl)-N-(1H-indol-5-yl)benzamide
Y040-4681 Screening compound: 4-(benzenesulfonamidomethyl)-N-(1H-indol-5-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4681
4-(benzenesulfonamidomethyl)-N-(1H-indol-5-yl)benzamide

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

Y040-4681

Molecular Formula

C22H19N3O3S (C22 H19 N3 O3 S)

Compound Name

4-(benzenesulfonamidomethyl)-N-(1H-indol-5-yl)benzamide

IUPAC name

4-(benzenesulfonamidomethyl)-N-(1H-indol-5-yl)benzamide

SMILES

O=C(c1ccc(CNS(c2ccccc2)(=O)=O)cc1)Nc(cc1)cc2c1[nH]cc2

InChI

InChI=1S/C22H19N3O3S/c26-22(25-19-10-11-21-18(14-19)12-13-23-21)17-8-6-16(7-9-17)15-24-29(27,28)20-4-2-1-3-5-20/h1-14,23-24H,15H2,(H,25,26)

InChI Key

IYDOPKJKHRRRLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12204341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.537

Distribution Coefficient, logD

3.537

Water Solubility, LogSw

-3.81

Polar Surface Area

74.869

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

Y040-4681 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with Y040-4681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4681?
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What is the minimum amount of Y040-4681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4681
  • 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 Y040-4681 available by request