D445-0314 Screening compound: N~1~-benzyl-2,6-dimethyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

D445-0314 Screening compound: N~1~-benzyl-2,6-dimethyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide
D445-0314 Screening compound: N~1~-benzyl-2,6-dimethyl-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D445-0314
N~1~-benzyl-2,6-dimethyl-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

D445-0314

Molecular Formula

C18H20N2O5S2 (C18 H20 N2 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(N(C(CC2)=O)S2(=O)=O)cc(C)c1S(NCc1ccccc1)(=O)=O

InChI

InChI=1S/C18H20N2O5S2/c1-13-10-16(20-17(21)8-9-26(20,22)23)11-14(2)18(13)27(24,25)19-12-15-6-4-3-5-7-15/h3-7,10-11,19H,8-9,12H2,1-2H3

InChI Key

QMXAXQIZECZKAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10480420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.056

Distribution Coefficient, logD

2.055

Water Solubility, LogSw

-2.70

Polar Surface Area

87.414

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

-6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with D445-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D445-0314?
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What is the minimum amount of D445-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D445-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D445-0314
  • 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 D445-0314 available by request