D473-0918 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

D473-0918 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide
D473-0918 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-0918
N~1~-(1,3-benzodioxol-5-yl)-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

D473-0918

Molecular Formula

C17H14N2O6S (C17 H14 N2 O6 S)

Compound Name

N~1~-(1,3-benzodioxol-5-yl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-4-(113-trioxo-1lambda62-thiazolidin-2-yl)benzamide

SMILES

O=C(c(cc1)ccc1N(C(CC1)=O)S1(=O)=O)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C17H14N2O6S/c20-16-7-8-26(22,23)19(16)13-4-1-11(2-5-13)17(21)18-12-3-6-14-15(9-12)25-10-24-14/h1-6,9H,7-8,10H2,(H,18,21)

InChI Key

KNLVNKQMSYDTJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12922166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.130

Distribution Coefficient, logD

1.128

Water Solubility, LogSw

-2.47

Polar Surface Area

85.862

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

D473-0918 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D473-0918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-0918?
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What is the minimum amount of D473-0918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-0918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-0918
  • 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 D473-0918 available by request