D470-0315 Screening compound: 2-methoxy-N~1~-(2-phenoxyphenyl)-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

D470-0315 Screening compound: 2-methoxy-N~1~-(2-phenoxyphenyl)-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide
D470-0315 Screening compound: 2-methoxy-N~1~-(2-phenoxyphenyl)-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-0315
2-methoxy-N~1~-(2-phenoxyphenyl)-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

D470-0315

Molecular Formula

C22H20N2O7S2 (C22 H20 N2 O7 S2)

Compound Name

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

IUPAC name

2-methoxy-N-(2-phenoxyphenyl)-5-(113-trioxo-1lambda62-thiazolidin-2-yl)benzene-1-sulfonamide

SMILES

COc(ccc(N(C(CC1)=O)S1(=O)=O)c1)c1S(Nc(cccc1)c1Oc1ccccc1)(=O)=O

InChI

InChI=1S/C22H20N2O7S2/c1-30-20-12-11-16(24-22(25)13-14-32(24,26)27)15-21(20)33(28,29)23-18-9-5-6-10-19(18)31-17-7-3-2-4-8-17/h2-12,15,23H,13-14H2,1H3

InChI Key

UNVOFLYWZBYCQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10042912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.534

Distribution Coefficient, logD

2.515

Water Solubility, LogSw

-3.13

Polar Surface Area

100.072

Acid Dissociation Constant (pKa)

8.74

Base Dissociation Constant (pKb)

-10.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D470-0315 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D470-0315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-0315?
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What is the minimum amount of D470-0315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-0315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-0315
  • 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 D470-0315 available by request