D445-0802 Screening compound: N~1~-(3-chloro-4-methylphenyl)-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

D445-0802 Screening compound: N~1~-(3-chloro-4-methylphenyl)-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide
D445-0802 Screening compound: N~1~-(3-chloro-4-methylphenyl)-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D445-0802
N~1~-(3-chloro-4-methylphenyl)-4-(4-methyl-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

D445-0802

Molecular Formula

C17H17ClN2O5S2 (C17 H17 ClN2 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(CS(N1c(cc2)ccc2S(Nc2cc(Cl)c(C)cc2)(=O)=O)(=O)=O)C1=O

InChI

InChI=1S/C17H17ClN2O5S2/c1-11-3-4-13(9-16(11)18)19-27(24,25)15-7-5-14(6-8-15)20-17(21)12(2)10-26(20,22)23/h3-9,12,19H,10H2,1-2H3/t12-/m1/s1

InChI Key

WLMWMHPGOHBYRP-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD10480553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.92

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

3.089

Distribution Coefficient, logD

2.905

Water Solubility, LogSw

-3.43

Polar Surface Area

86.027

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-10.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with D445-0802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D445-0802?
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What is the minimum amount of D445-0802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D445-0802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D445-0802
  • 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 D445-0802 available by request