D445-0243 Screening compound: N~1~-(3-bromo-4-methylphenyl)-2-methyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

D445-0243 Screening compound: N~1~-(3-bromo-4-methylphenyl)-2-methyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide
D445-0243 Screening compound: N~1~-(3-bromo-4-methylphenyl)-2-methyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D445-0243
N~1~-(3-bromo-4-methylphenyl)-2-methyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

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

D445-0243

Molecular Formula

C17H17BrN2O5S2 (C17 H17 BrN2 O5 S2)

Compound Name

N~1~-(3-bromo-4-methylphenyl)-2-methyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

IUPAC name

N-(3-bromo-4-methylphenyl)-2-methyl-4-(113-trioxo-1lambda62-thiazolidin-2-yl)benzene-1-sulfonamide

SMILES

Cc(ccc(NS(c(cc1)c(C)cc1N(C(CC1)=O)S1(=O)=O)(=O)=O)c1)c1Br

InChI

InChI=1S/C17H17BrN2O5S2/c1-11-3-4-13(10-15(11)18)19-27(24,25)16-6-5-14(9-12(16)2)20-17(21)7-8-26(20,22)23/h3-6,9-10,19H,7-8H2,1-2H3

InChI Key

HUPCCMWXCVGTFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10480381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.820

Distribution Coefficient, logD

2.258

Water Solubility, LogSw

-3.39

Polar Surface Area

86.305

Acid Dissociation Constant (pKa)

6.98

Base Dissociation Constant (pKb)

-10.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with D445-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D445-0243?
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What is the minimum amount of D445-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D445-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D445-0243
  • 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 D445-0243 available by request