D473-1095 Screening compound: 4-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(3-methylbenzyl)benzamide

D473-1095 Screening compound: 4-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(3-methylbenzyl)benzamide
D473-1095 Screening compound: 4-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(3-methylbenzyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1095
4-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(3-methylbenzyl)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

D473-1095

Molecular Formula

C20H22N2O4S (C20 H22 N2 O4 S)

Compound Name

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

IUPAC name

4-(44-dimethyl-113-trioxo-1lambda62-thiazolidin-2-yl)-N-[(3-methylphenyl)methyl]benzamide

SMILES

CC(C)(CS(N1c(cc2)ccc2C(NCc2cc(C)ccc2)=O)(=O)=O)C1=O

InChI

InChI=1S/C20H22N2O4S/c1-14-5-4-6-15(11-14)12-21-18(23)16-7-9-17(10-8-16)22-19(24)20(2,3)13-27(22,25)26/h4-11H,12-13H2,1-3H3,(H,21,23)

InChI Key

CDVRPSRKIXJRDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10089545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.968

Distribution Coefficient, logD

2.968

Water Solubility, LogSw

-3.46

Polar Surface Area

69.791

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with D473-1095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1095?
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What is the minimum amount of D473-1095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1095
  • 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 D473-1095 available by request