D470-0117 Screening compound: N~1~-(2-ethoxyphenyl)-2-methyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

D470-0117 Screening compound: N~1~-(2-ethoxyphenyl)-2-methyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide
D470-0117 Screening compound: N~1~-(2-ethoxyphenyl)-2-methyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-0117
N~1~-(2-ethoxyphenyl)-2-methyl-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

D470-0117

Molecular Formula

C18H20N2O6S2 (C18 H20 N2 O6 S2)

Compound Name

N~1~-(2-ethoxyphenyl)-2-methyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

IUPAC name

N-(2-ethoxyphenyl)-2-methyl-5-(113-trioxo-1lambda62-thiazolidin-2-yl)benzene-1-sulfonamide

SMILES

CCOc(cccc1)c1NS(c1c(C)ccc(N(C(CC2)=O)S2(=O)=O)c1)(=O)=O

InChI

InChI=1S/C18H20N2O6S2/c1-3-26-16-7-5-4-6-15(16)19-28(24,25)17-12-14(9-8-13(17)2)20-18(21)10-11-27(20,22)23/h4-9,12,19H,3,10-11H2,1-2H3

InChI Key

OZYAHHSEXQRQKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10042820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

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

1.911

Distribution Coefficient, logD

0.967

Water Solubility, LogSw

-2.80

Polar Surface Area

92.817

Acid Dissociation Constant (pKa)

6.51

Base Dissociation Constant (pKb)

-9.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with D470-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-0117?
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What is the minimum amount of D470-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-0117
  • 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 D470-0117 available by request