D473-1382 Screening compound: 2-chloro-N~1~-(2-phenoxyphenyl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

D473-1382 Screening compound: 2-chloro-N~1~-(2-phenoxyphenyl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide
D473-1382 Screening compound: 2-chloro-N~1~-(2-phenoxyphenyl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1382
2-chloro-N~1~-(2-phenoxyphenyl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

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

D473-1382

Molecular Formula

C22H17ClN2O5S (C22 H17 ClN2 O5 S)

Compound Name

2-chloro-N~1~-(2-phenoxyphenyl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

IUPAC name

2-chloro-N-(2-phenoxyphenyl)-4-(113-trioxo-1lambda62-thiazolidin-2-yl)benzamide

SMILES

O=C(c(ccc(N(C(CC1)=O)S1(=O)=O)c1)c1Cl)Nc(cccc1)c1Oc1ccccc1

InChI

InChI=1S/C22H17ClN2O5S/c23-18-14-15(25-21(26)12-13-31(25,28)29)10-11-17(18)22(27)24-19-8-4-5-9-20(19)30-16-6-2-1-3-7-16/h1-11,14H,12-13H2,(H,24,27)

InChI Key

NELSROFPPXYFMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10089797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.91

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.456

Distribution Coefficient, logD

3.455

Water Solubility, LogSw

-4.25

Polar Surface Area

74.883

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D473-1382 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with D473-1382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1382?
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What is the minimum amount of D473-1382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1382
  • 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 D473-1382 available by request