D445-0838 Screening compound: N~1~-[3-chloro-4-(trifluoromethyl)phenyl]-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

D445-0838 Screening compound: N~1~-[3-chloro-4-(trifluoromethyl)phenyl]-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide
D445-0838 Screening compound: N~1~-[3-chloro-4-(trifluoromethyl)phenyl]-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D445-0838
N~1~-[3-chloro-4-(trifluoromethyl)phenyl]-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

D445-0838

Molecular Formula

C17H14ClF3N2O5S2 (C17 H14 ClF3 N2 O5 S2)

Compound Name

N~1~-[3-chloro-4-(trifluoromethyl)phenyl]-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

IUPAC name

N-[3-chloro-4-(trifluoromethyl)phenyl]-4-(4-methyl-113-trioxo-1lambda62-thiazolidin-2-yl)benzene-1-sulfonamide

SMILES

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

InChI

InChI=1S/C17H14ClF3N2O5S2/c1-10-9-29(25,26)23(16(10)24)12-3-5-13(6-4-12)30(27,28)22-11-2-7-14(15(18)8-11)17(19,20)21/h2-8,10,22H,9H2,1H3/t10-/m1/s1

InChI Key

KDMMGIDLBIBFHP-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD10480582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.89

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.225

Distribution Coefficient, logD

3.042

Water Solubility, LogSw

-3.79

Polar Surface Area

86.027

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-12.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with D445-0838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D445-0838?
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What is the minimum amount of D445-0838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D445-0838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D445-0838
  • 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 D445-0838 available by request