C481-0688 Screening compound: N-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl}-2,1,3-benzothiadiazole-4-sulfonamide

C481-0688 Screening compound: N-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl}-2,1,3-benzothiadiazole-4-sulfonamide
C481-0688 Screening compound: N-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl}-2,1,3-benzothiadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-0688
N-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl}-2,1,3-benzothiadiazole-4-sulfonamide

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

C481-0688

Molecular Formula

C26H27N5O3S2 (C26 H27 N5 O3 S2)

Compound Name

N-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl}-2,1,3-benzothiadiazole-4-sulfonamide

IUPAC name

N-{2-[4-(25-dimethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl}-213-benzothiadiazole-4-sulfonamide

SMILES

Cc1cc(N(CC2)CCN2C(C(c2ccccc2)NS(c2cccc3nsnc23)(=O)=O)=O)c(C)cc1

InChI

InChI=1S/C26H27N5O3S2/c1-18-11-12-19(2)22(17-18)30-13-15-31(16-14-30)26(32)24(20-7-4-3-5-8-20)29-36(33,34)23-10-6-9-21-25(23)28-35-27-21/h3-12,17,24,29H,13-16H2,1-2H3/t24-/m1/s1

InChI Key

LFUAWMYNVVYJCH-XMMPIXPASA-N

MDL Number (MFCD)

MFCD14760577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.474

Distribution Coefficient, logD

4.264

Water Solubility, LogSw

-4.29

Polar Surface Area

82.123

Acid Dissociation Constant (pKa)

7.61

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

C481-0688 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C481-0688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-0688?
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What is the minimum amount of C481-0688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-0688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-0688
  • 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 C481-0688 available by request