C797-1275 Screening compound: 4-{[5-(3,4-dimethylphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}-N~1~-isopentylbenzamide

C797-1275 Screening compound: 4-{[5-(3,4-dimethylphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}-N~1~-isopentylbenzamide
C797-1275 Screening compound: 4-{[5-(3,4-dimethylphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}-N~1~-isopentylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1275
4-{[5-(3,4-dimethylphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}-N~1~-isopentylbenzamide

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

C797-1275

Molecular Formula

C25H30N2O4S (C25 H30 N2 O4 S)

Compound Name

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

IUPAC name

4-{[5-(34-dimethylphenyl)-4-methyl-113-trioxo-23-dihydro-1lambda62-thiazol-2-yl]methyl}-N-(3-methylbutyl)benzamide

SMILES

CC(C)CCNC(c1ccc(CN(C(C(C)=C2c3cc(C)c(C)cc3)=O)S2(=O)=O)cc1)=O

InChI

InChI=1S/C25H30N2O4S/c1-16(2)12-13-26-24(28)21-10-7-20(8-11-21)15-27-25(29)19(5)23(32(27,30)31)22-9-6-17(3)18(4)14-22/h6-11,14,16H,12-13,15H2,1-5H3,(H,26,28)

InChI Key

IXJWLUSQBCXPGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.433

Distribution Coefficient, logD

4.433

Water Solubility, LogSw

-4.14

Polar Surface Area

69.710

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C797-1275 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C797-1275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1275?
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What is the minimum amount of C797-1275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1275
  • 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 C797-1275 available by request