K788-2921 Screening compound: 4-(benzenesulfonamidomethyl)-N-cyclohexylcyclohexane-1-carboxamide

K788-2921 Screening compound: 4-(benzenesulfonamidomethyl)-N-cyclohexylcyclohexane-1-carboxamide
K788-2921 Screening compound: 4-(benzenesulfonamidomethyl)-N-cyclohexylcyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-2921
4-(benzenesulfonamidomethyl)-N-cyclohexylcyclohexane-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

K788-2921

Molecular Formula

C20H30N2O3S (C20 H30 N2 O3 S)

Compound Name

4-(benzenesulfonamidomethyl)-N-cyclohexylcyclohexane-1-carboxamide

IUPAC name

4-(benzenesulfonamidomethyl)-N-cyclohexylcyclohexane-1-carboxamide

SMILES

O=C(C1CCC(CNS(c2ccccc2)(=O)=O)CC1)NC1CCCCC1

InChI

InChI=1S/C20H30N2O3S/c23-20(22-18-7-3-1-4-8-18)17-13-11-16(12-14-17)15-21-26(24,25)19-9-5-2-6-10-19/h2,5-6,9-10,16-18,21H,1,3-4,7-8,11-15H2,(H,22,23)

InChI Key

DMNQSIVCWZXFNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.022

Distribution Coefficient, logD

4.022

Water Solubility, LogSw

-4.12

Polar Surface Area

66.327

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

K788-2921 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with K788-2921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-2921?
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What is the minimum amount of K788-2921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-2921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-2921
  • 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 K788-2921 available by request