D257-0540 Screening compound: N~1~-{4-[(2,4-dimethylanilino)sulfonyl]phenyl}-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

D257-0540 Screening compound: N~1~-{4-[(2,4-dimethylanilino)sulfonyl]phenyl}-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide
D257-0540 Screening compound: N~1~-{4-[(2,4-dimethylanilino)sulfonyl]phenyl}-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D257-0540
N~1~-{4-[(2,4-dimethylanilino)sulfonyl]phenyl}-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)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

D257-0540

Molecular Formula

C23H21N3O6S2 (C23 H21 N3 O6 S2)

Compound Name

N~1~-{4-[(2,4-dimethylanilino)sulfonyl]phenyl}-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

IUPAC name

N-{4-[(24-dimethylphenyl)sulfamoyl]phenyl}-2-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)acetamide

SMILES

Cc(cc1)cc(C)c1NS(c(cc1)ccc1NC(CN(C(c1c2cccc1)=O)S2(=O)=O)=O)(=O)=O

InChI

InChI=1S/C23H21N3O6S2/c1-15-7-12-20(16(2)13-15)25-33(29,30)18-10-8-17(9-11-18)24-22(27)14-26-23(28)19-5-3-4-6-21(19)34(26,31)32/h3-13,25H,14H2,1-2H3,(H,24,27)

InChI Key

ICSAEOUAIWGTDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04359308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.57

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.956

Distribution Coefficient, logD

2.951

Water Solubility, LogSw

-3.46

Polar Surface Area

108.285

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D257-0540 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D257-0540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D257-0540?
Check Price and Availability of D257-0540, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D257-0540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D257-0540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D257-0540
  • 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 D257-0540 available by request