C797-1273 Screening compound: N~1~-benzyl-4-{[5-(3,4-dimethylphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}benzamide

C797-1273 Screening compound: N~1~-benzyl-4-{[5-(3,4-dimethylphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}benzamide
C797-1273 Screening compound: N~1~-benzyl-4-{[5-(3,4-dimethylphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1273
N~1~-benzyl-4-{[5-(3,4-dimethylphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}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

C797-1273

Molecular Formula

C27H26N2O4S (C27 H26 N2 O4 S)

Compound Name

N~1~-benzyl-4-{[5-(3,4-dimethylphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}benzamide

IUPAC name

N-benzyl-4-{[5-(34-dimethylphenyl)-4-methyl-113-trioxo-23-dihydro-1lambda62-thiazol-2-yl]methyl}benzamide

SMILES

CC(C(N1Cc(cc2)ccc2C(NCc2ccccc2)=O)=O)=C(c2cc(C)c(C)cc2)S1(=O)=O

InChI

InChI=1S/C27H26N2O4S/c1-18-9-12-24(15-19(18)2)25-20(3)27(31)29(34(25,32)33)17-22-10-13-23(14-11-22)26(30)28-16-21-7-5-4-6-8-21/h4-15H,16-17H2,1-3H3,(H,28,30)

InChI Key

QQKYBWILBRPFRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.406

Distribution Coefficient, logD

4.406

Water Solubility, LogSw

-4.26

Polar Surface Area

69.597

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

-4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C797-1273 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C797-1273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1273?
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What is the minimum amount of C797-1273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1273
  • 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 C797-1273 available by request