D470-0287 Screening compound: 2-methoxy-N~1~-[4-(trifluoromethyl)phenyl]-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

D470-0287 Screening compound: 2-methoxy-N~1~-[4-(trifluoromethyl)phenyl]-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide
D470-0287 Screening compound: 2-methoxy-N~1~-[4-(trifluoromethyl)phenyl]-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-0287
2-methoxy-N~1~-[4-(trifluoromethyl)phenyl]-5-(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

D470-0287

Molecular Formula

C17H15F3N2O6S2 (C17 H15 F3 N2 O6 S2)

Compound Name

2-methoxy-N~1~-[4-(trifluoromethyl)phenyl]-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

IUPAC name

2-methoxy-N-[4-(trifluoromethyl)phenyl]-5-(113-trioxo-1lambda62-thiazolidin-2-yl)benzene-1-sulfonamide

SMILES

COc(ccc(N(C(CC1)=O)S1(=O)=O)c1)c1S(Nc1ccc(C(F)(F)F)cc1)(=O)=O

InChI

InChI=1S/C17H15F3N2O6S2/c1-28-14-7-6-13(22-16(23)8-9-29(22,24)25)10-15(14)30(26,27)21-12-4-2-11(3-5-12)17(18,19)20/h2-7,10,21H,8-9H2,1H3

InChI Key

YTUYFLHZQPKFBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10480677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.44

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

2.056

Distribution Coefficient, logD

2.024

Water Solubility, LogSw

-3.06

Polar Surface Area

93.935

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

-11.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with D470-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-0287?
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What is the minimum amount of D470-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-0287
  • 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 D470-0287 available by request