8005-9472 Screening compound: 2-[2,4-dichloro(phenylsulfonyl)anilino]-N-(2-methylphenyl)acetamide

8005-9472 Screening compound: 2-[2,4-dichloro(phenylsulfonyl)anilino]-N-(2-methylphenyl)acetamide
8005-9472 Screening compound: 2-[2,4-dichloro(phenylsulfonyl)anilino]-N-(2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-9472
2-[2,4-dichloro(phenylsulfonyl)anilino]-N-(2-methylphenyl)acetamide

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

8005-9472

Molecular Formula

C21H18Cl2N2O3S (C21 H18 Cl2 N2 O3 S)

Compound Name

2-[2,4-dichloro(phenylsulfonyl)anilino]-N-(2-methylphenyl)acetamide

IUPAC name

2-[N-(24-dichlorophenyl)benzenesulfonamido]-N-(2-methylphenyl)acetamide

SMILES

Cc(cccc1)c1NC(CN(c(ccc(Cl)c1)c1Cl)S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C21H18Cl2N2O3S/c1-15-7-5-6-10-19(15)24-21(26)14-25(20-12-11-16(22)13-18(20)23)29(27,28)17-8-3-2-4-9-17/h2-13H,14H2,1H3,(H,24,26)

InChI Key

BVYWAWWDTWWJBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.822

Distribution Coefficient, logD

4.822

Water Solubility, LogSw

-4.87

Polar Surface Area

53.943

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.52

8005-9472 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8005-9472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-9472?
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What is the minimum amount of 8005-9472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-9472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-9472
  • 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 8005-9472 available by request