C797-1269 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~-[2-(2-thienyl)ethyl]benzamide

C797-1269 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~-[2-(2-thienyl)ethyl]benzamide
C797-1269 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~-[2-(2-thienyl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1269
4-{[5-(3,4-dimethylphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}-N~1~-[2-(2-thienyl)ethyl]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

C797-1269

Molecular Formula

C26H26N2O4S2 (C26 H26 N2 O4 S2)

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~-[2-(2-thienyl)ethyl]benzamide

IUPAC name

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

SMILES

CC(C(N1Cc(cc2)ccc2C(NCCc2cccs2)=O)=O)=C(c2cc(C)c(C)cc2)S1(=O)=O

InChI

InChI=1S/C26H26N2O4S2/c1-17-6-9-22(15-18(17)2)24-19(3)26(30)28(34(24,31)32)16-20-7-10-21(11-8-20)25(29)27-13-12-23-5-4-14-33-23/h4-11,14-15H,12-13,16H2,1-3H3,(H,27,29)

InChI Key

ZVWWMCUAPDXMHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.64

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

4.299

Distribution Coefficient, logD

4.299

Water Solubility, LogSw

-4.17

Polar Surface Area

70.457

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with C797-1269 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1269
  • 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 C797-1269 available by request