D473-1640 Screening compound: N~1~-(2-isopropoxyphenyl)-3-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

D473-1640 Screening compound: N~1~-(2-isopropoxyphenyl)-3-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide
D473-1640 Screening compound: N~1~-(2-isopropoxyphenyl)-3-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1640
N~1~-(2-isopropoxyphenyl)-3-(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

D473-1640

Molecular Formula

C19H20N2O5S (C19 H20 N2 O5 S)

Compound Name

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

IUPAC name

N-[2-(propan-2-yloxy)phenyl]-3-(113-trioxo-1lambda62-thiazolidin-2-yl)benzamide

SMILES

CC(C)Oc(cccc1)c1NC(c1cccc(N(C(CC2)=O)S2(=O)=O)c1)=O

InChI

InChI=1S/C19H20N2O5S/c1-13(2)26-17-9-4-3-8-16(17)20-19(23)14-6-5-7-15(12-14)21-18(22)10-11-27(21,24)25/h3-9,12-13H,10-11H2,1-2H3,(H,20,23)

InChI Key

QAORALOBJFMTET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10089997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.44

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

2.099

Distribution Coefficient, logD

2.093

Water Solubility, LogSw

-3.11

Polar Surface Area

74.938

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

D473-1640 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D473-1640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1640?
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What is the minimum amount of D473-1640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1640
  • 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 D473-1640 available by request