C548-3614 Screening compound: 4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]-N-benzyl-N-ethylcyclohexane-1-carboxamide

C548-3614 Screening compound: 4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]-N-benzyl-N-ethylcyclohexane-1-carboxamide
C548-3614 Screening compound: 4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]-N-benzyl-N-ethylcyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3614
4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]-N-benzyl-N-ethylcyclohexane-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

C548-3614

Molecular Formula

C23H28N4O3S2 (C23 H28 N4 O3 S2)

Compound Name

4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]-N-benzyl-N-ethylcyclohexane-1-carboxamide

IUPAC name

4-[(213-benzothiadiazole-4-sulfonamido)methyl]-N-benzyl-N-ethylcyclohexane-1-carboxamide

SMILES

CCN(Cc1ccccc1)C(C1CCC(CNS(c2cccc3nsnc23)(=O)=O)CC1)=O

InChI

InChI=1S/C23H28N4O3S2/c1-2-27(16-18-7-4-3-5-8-18)23(28)19-13-11-17(12-14-19)15-24-32(29,30)21-10-6-9-20-22(21)26-31-25-20/h3-10,17,19,24H,2,11-16H2,1H3

InChI Key

YYZZFBVWXACLRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.396

Distribution Coefficient, logD

4.394

Water Solubility, LogSw

-4.29

Polar Surface Area

79.077

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with C548-3614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3614?
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What is the minimum amount of C548-3614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3614
  • 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 C548-3614 available by request