D473-1799 Screening compound: 3-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(4-methoxyphenyl)benzamide

D473-1799 Screening compound: 3-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(4-methoxyphenyl)benzamide
D473-1799 Screening compound: 3-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(4-methoxyphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1799
3-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(4-methoxyphenyl)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

D473-1799

Molecular Formula

C19H20N2O5S (C19 H20 N2 O5 S)

Compound Name

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

IUPAC name

3-(44-dimethyl-113-trioxo-1lambda62-thiazolidin-2-yl)-N-(4-methoxyphenyl)benzamide

SMILES

CC(C)(CS(N1c2cc(C(Nc(cc3)ccc3OC)=O)ccc2)(=O)=O)C1=O

InChI

InChI=1S/C19H20N2O5S/c1-19(2)12-27(24,25)21(18(19)23)15-6-4-5-13(11-15)17(22)20-14-7-9-16(26-3)10-8-14/h4-11H,12H2,1-3H3,(H,20,22)

InChI Key

NXJKSAUYUVRECL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090127

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

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.689

Distribution Coefficient, logD

2.688

Water Solubility, LogSw

-3.33

Polar Surface Area

76.013

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with D473-1799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1799?
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What is the minimum amount of D473-1799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1799
  • 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 D473-1799 available by request