C548-3562 Screening compound: 4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]-N-(2-methylbutan-2-yl)cyclohexane-1-carboxamide

C548-3562 Screening compound: 4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]-N-(2-methylbutan-2-yl)cyclohexane-1-carboxamide
C548-3562 Screening compound: 4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]-N-(2-methylbutan-2-yl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3562
4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]-N-(2-methylbutan-2-yl)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

C548-3562

Molecular Formula

C19H28N4O3S2 (C19 H28 N4 O3 S2)

Compound Name

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

IUPAC name

4-[(213-benzothiadiazole-4-sulfonamido)methyl]-N-(2-methylbutan-2-yl)cyclohexane-1-carboxamide

SMILES

CCC(C)(C)NC(C1CCC(CNS(c2cccc3nsnc23)(=O)=O)CC1)=O

InChI

InChI=1S/C19H28N4O3S2/c1-4-19(2,3)21-18(24)14-10-8-13(9-11-14)12-20-28(25,26)16-7-5-6-15-17(16)23-27-22-15/h5-7,13-14,20H,4,8-12H2,1-3H3,(H,21,24)

InChI Key

VEHHPUWFGDZGHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.601

Distribution Coefficient, logD

3.600

Water Solubility, LogSw

-3.60

Polar Surface Area

87.117

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

C548-3562 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C548-3562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3562?
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What is the minimum amount of C548-3562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3562
  • 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 C548-3562 available by request