D445-0402 Screening compound: 2-({[2,6-dimethyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)benzamide

D445-0402 Screening compound: 2-({[2,6-dimethyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)benzamide
D445-0402 Screening compound: 2-({[2,6-dimethyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D445-0402
2-({[2,6-dimethyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)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

D445-0402

Molecular Formula

C18H19N3O6S2 (C18 H19 N3 O6 S2)

Compound Name

2-({[2,6-dimethyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)benzamide

IUPAC name

2-[26-dimethyl-4-(113-trioxo-1lambda62-thiazolidin-2-yl)benzenesulfonamido]benzamide

SMILES

Cc1cc(N(C(CC2)=O)S2(=O)=O)cc(C)c1S(Nc(cccc1)c1C(N)=O)(=O)=O

InChI

InChI=1S/C18H19N3O6S2/c1-11-9-13(21-16(22)7-8-28(21,24)25)10-12(2)17(11)29(26,27)20-15-6-4-3-5-14(15)18(19)23/h3-6,9-10,20H,7-8H2,1-2H3,(H2,19,23)

InChI Key

ANXCSBXTIJBKSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10480483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.039

Distribution Coefficient, logD

0.033

Water Solubility, LogSw

-2.46

Polar Surface Area

119.666

Acid Dissociation Constant (pKa)

6.44

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D445-0402 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • Receptor's ligands
Therapeutical areas:
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with D445-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D445-0402?
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What is the minimum amount of D445-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D445-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D445-0402
  • 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 D445-0402 available by request