D445-0424 Screening compound: 2,6-dimethyl-N~1~-(4-phenoxyphenyl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

D445-0424 Screening compound: 2,6-dimethyl-N~1~-(4-phenoxyphenyl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide
D445-0424 Screening compound: 2,6-dimethyl-N~1~-(4-phenoxyphenyl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D445-0424
2,6-dimethyl-N~1~-(4-phenoxyphenyl)-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

D445-0424

Molecular Formula

C23H22N2O6S2 (C23 H22 N2 O6 S2)

Compound Name

2,6-dimethyl-N~1~-(4-phenoxyphenyl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

IUPAC name

26-dimethyl-N-(4-phenoxyphenyl)-4-(113-trioxo-1lambda62-thiazolidin-2-yl)benzene-1-sulfonamide

SMILES

Cc1cc(N(C(CC2)=O)S2(=O)=O)cc(C)c1S(Nc(cc1)ccc1Oc1ccccc1)(=O)=O

InChI

InChI=1S/C23H22N2O6S2/c1-16-14-19(25-22(26)12-13-32(25,27)28)15-17(2)23(16)33(29,30)24-18-8-10-21(11-9-18)31-20-6-4-3-5-7-20/h3-11,14-15,24H,12-13H2,1-2H3

InChI Key

LODQMHCKAXPTSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10480499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.032

Distribution Coefficient, logD

3.958

Water Solubility, LogSw

-4.16

Polar Surface Area

93.053

Acid Dissociation Constant (pKa)

8.13

Base Dissociation Constant (pKb)

-10.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with D445-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D445-0424?
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What is the minimum amount of D445-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D445-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D445-0424
  • 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 D445-0424 available by request