C481-0776 Screening compound: 4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]-N-(2,4-dimethylphenyl)benzamide

C481-0776 Screening compound: 4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]-N-(2,4-dimethylphenyl)benzamide
C481-0776 Screening compound: 4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]-N-(2,4-dimethylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-0776
4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]-N-(2,4-dimethylphenyl)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

C481-0776

Molecular Formula

C22H20N4O3S2 (C22 H20 N4 O3 S2)

Compound Name

4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]-N-(2,4-dimethylphenyl)benzamide

IUPAC name

4-[(213-benzothiadiazole-4-sulfonamido)methyl]-N-(24-dimethylphenyl)benzamide

SMILES

Cc(cc1)cc(C)c1NC(c1ccc(CNS(c2cccc3nsnc23)(=O)=O)cc1)=O

InChI

InChI=1S/C22H20N4O3S2/c1-14-6-11-18(15(2)12-14)24-22(27)17-9-7-16(8-10-17)13-23-31(28,29)20-5-3-4-19-21(20)26-30-25-19/h3-12,23H,13H2,1-2H3,(H,24,27)

InChI Key

FDGHUUIAMIWLEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760598

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

4.213

Distribution Coefficient, logD

4.197

Water Solubility, LogSw

-4.22

Polar Surface Area

85.343

Acid Dissociation Constant (pKa)

8.83

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with C481-0776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-0776?
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What is the minimum amount of C481-0776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-0776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-0776
  • 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 C481-0776 available by request