C548-3470 Screening compound: 4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide

C548-3470 Screening compound: 4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
C548-3470 Screening compound: 4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3470
4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide

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

C548-3470

Molecular Formula

C22H26N4O3S2 (C22 H26 N4 O3 S2)

Compound Name

4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide

IUPAC name

4-[(213-benzothiadiazole-4-sulfonamido)methyl]-N-(26-dimethylphenyl)cyclohexane-1-carboxamide

SMILES

Cc1cccc(C)c1NC(C1CCC(CNS(c2cccc3nsnc23)(=O)=O)CC1)=O

InChI

InChI=1S/C22H26N4O3S2/c1-14-5-3-6-15(2)20(14)24-22(27)17-11-9-16(10-12-17)13-23-31(28,29)19-8-4-7-18-21(19)26-30-25-18/h3-8,16-17,23H,9-13H2,1-2H3,(H,24,27)

InChI Key

XMBZVMACYYDWHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.61

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

4.249

Distribution Coefficient, logD

4.248

Water Solubility, LogSw

-4.30

Polar Surface Area

84.837

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with C548-3470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3470?
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What is the minimum amount of C548-3470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3470
  • 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 C548-3470 available by request