C481-0401 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(2,6-dimethylphenyl)-2-phenylacetamide

C481-0401 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(2,6-dimethylphenyl)-2-phenylacetamide
C481-0401 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(2,6-dimethylphenyl)-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-0401
2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(2,6-dimethylphenyl)-2-phenylacetamide

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

C481-0401

Molecular Formula

C22H20N4O3S2 (C22 H20 N4 O3 S2)

Compound Name

2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(2,6-dimethylphenyl)-2-phenylacetamide

IUPAC name

2-(213-benzothiadiazole-4-sulfonamido)-N-(26-dimethylphenyl)-2-phenylacetamide

SMILES

Cc1cccc(C)c1NC(C(c1ccccc1)NS(c1cccc2nsnc12)(=O)=O)=O

InChI

InChI=1S/C22H20N4O3S2/c1-14-8-6-9-15(2)19(14)23-22(27)20(16-10-4-3-5-11-16)26-31(28,29)18-13-7-12-17-21(18)25-30-24-17/h3-13,20,26H,1-2H3,(H,23,27)/t20-/m1/s1

InChI Key

VSIYIPFIPNXYPJ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14760522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.736

Distribution Coefficient, logD

3.644

Water Solubility, LogSw

-3.93

Polar Surface Area

84.211

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

C481-0401 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Agro:
  • Agro
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C481-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-0401?
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What is the minimum amount of C481-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-0401
  • 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 C481-0401 available by request