D473-1827 Screening compound: N~1~-benzyl-3-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-phenylbenzamide

D473-1827 Screening compound: N~1~-benzyl-3-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-phenylbenzamide
D473-1827 Screening compound: N~1~-benzyl-3-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1827
N~1~-benzyl-3-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-phenylbenzamide

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

D473-1827

Molecular Formula

C25H24N2O4S (C25 H24 N2 O4 S)

Compound Name

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

IUPAC name

N-benzyl-3-(44-dimethyl-113-trioxo-1lambda62-thiazolidin-2-yl)-N-phenylbenzamide

SMILES

CC(C)(CS(N1c2cc(C(N(Cc3ccccc3)c3ccccc3)=O)ccc2)(=O)=O)C1=O

InChI

InChI=1S/C25H24N2O4S/c1-25(2)18-32(30,31)27(24(25)29)22-15-9-12-20(16-22)23(28)26(21-13-7-4-8-14-21)17-19-10-5-3-6-11-19/h3-16H,17-18H2,1-2H3

InChI Key

BJQCDPYGTWPATR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.186

Distribution Coefficient, logD

4.186

Water Solubility, LogSw

-4.37

Polar Surface Area

60.729

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

-4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D473-1827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1827?
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What is the minimum amount of D473-1827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1827
  • 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 D473-1827 available by request