L424-0084 Screening compound: N-benzyl-1-(4-ethanesulfonamidophenyl)cyclohexane-1-carboxamide

L424-0084 Screening compound: N-benzyl-1-(4-ethanesulfonamidophenyl)cyclohexane-1-carboxamide
L424-0084 Screening compound: N-benzyl-1-(4-ethanesulfonamidophenyl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L424-0084
N-benzyl-1-(4-ethanesulfonamidophenyl)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

L424-0084

Molecular Formula

C22H28N2O3S (C22 H28 N2 O3 S)

Compound Name

N-benzyl-1-(4-ethanesulfonamidophenyl)cyclohexane-1-carboxamide

IUPAC name

N-benzyl-1-(4-ethanesulfonamidophenyl)cyclohexane-1-carboxamide

SMILES

CCS(Nc1ccc(C2(CCCCC2)C(NCc2ccccc2)=O)cc1)(=O)=O

InChI

InChI=1S/C22H28N2O3S/c1-2-28(26,27)24-20-13-11-19(12-14-20)22(15-7-4-8-16-22)21(25)23-17-18-9-5-3-6-10-18/h3,5-6,9-14,24H,2,4,7-8,15-17H2,1H3,(H,23,25)

InChI Key

GRTXUIOQCDBHFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.141

Distribution Coefficient, logD

4.140

Water Solubility, LogSw

-4.14

Polar Surface Area

67.121

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

L424-0084 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L424-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L424-0084?
Check Price and Availability of L424-0084, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L424-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L424-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L424-0084
  • 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 L424-0084 available by request