C481-0985 Screening compound: N-(3,5-dimethylphenyl)-2-(N-methyl2,1,3-benzothiadiazole-4-sulfonamido)acetamide

C481-0985 Screening compound: N-(3,5-dimethylphenyl)-2-(N-methyl2,1,3-benzothiadiazole-4-sulfonamido)acetamide
C481-0985 Screening compound: N-(3,5-dimethylphenyl)-2-(N-methyl2,1,3-benzothiadiazole-4-sulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-0985
N-(3,5-dimethylphenyl)-2-(N-methyl2,1,3-benzothiadiazole-4-sulfonamido)acetamide

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

C481-0985

Molecular Formula

C17H18N4O3S2 (C17 H18 N4 O3 S2)

Compound Name

N-(3,5-dimethylphenyl)-2-(N-methyl2,1,3-benzothiadiazole-4-sulfonamido)acetamide

IUPAC name

N-(35-dimethylphenyl)-2-(N-methyl213-benzothiadiazole-4-sulfonamido)acetamide

SMILES

Cc1cc(NC(CN(C)S(c2cccc3nsnc23)(=O)=O)=O)cc(C)c1

InChI

InChI=1S/C17H18N4O3S2/c1-11-7-12(2)9-13(8-11)18-16(22)10-21(3)26(23,24)15-6-4-5-14-17(15)20-25-19-14/h4-9H,10H2,1-3H3,(H,18,22)

InChI Key

LLJOGEGPMJOQCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.243

Distribution Coefficient, logD

3.243

Water Solubility, LogSw

-3.42

Polar Surface Area

76.905

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

C481-0985 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C481-0985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-0985?
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What is the minimum amount of C481-0985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-0985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-0985
  • 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 C481-0985 available by request