K788-2180 Screening compound: 4-(benzenesulfonamidomethyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide

K788-2180 Screening compound: 4-(benzenesulfonamidomethyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide
K788-2180 Screening compound: 4-(benzenesulfonamidomethyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-2180
4-(benzenesulfonamidomethyl)-N-[(2-chlorophenyl)methyl]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

K788-2180

Molecular Formula

C21H25ClN2O3S (C21 H25 ClN2 O3 S)

Compound Name

4-(benzenesulfonamidomethyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide

IUPAC name

4-(benzenesulfonamidomethyl)-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide

SMILES

O=C(C1CCC(CNS(c2ccccc2)(=O)=O)CC1)NCc(cccc1)c1Cl

InChI

InChI=1S/C21H25ClN2O3S/c22-20-9-5-4-6-18(20)15-23-21(25)17-12-10-16(11-13-17)14-24-28(26,27)19-7-2-1-3-8-19/h1-9,16-17,24H,10-15H2,(H,23,25)

InChI Key

NVXDCHCMPFTDSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15103668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.353

Distribution Coefficient, logD

4.353

Water Solubility, LogSw

-4.31

Polar Surface Area

66.602

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

K788-2180 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K788-2180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-2180?
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What is the minimum amount of K788-2180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-2180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-2180
  • 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 K788-2180 available by request