K906-0810 Screening compound: N-[2-(3-methylphenyl)ethyl]-4-[(thiophene-2-sulfonamido)methyl]cyclohexane-1-carboxamide

K906-0810 Screening compound: N-[2-(3-methylphenyl)ethyl]-4-[(thiophene-2-sulfonamido)methyl]cyclohexane-1-carboxamide
K906-0810 Screening compound: N-[2-(3-methylphenyl)ethyl]-4-[(thiophene-2-sulfonamido)methyl]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-0810
N-[2-(3-methylphenyl)ethyl]-4-[(thiophene-2-sulfonamido)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

K906-0810

Molecular Formula

C21H28N2O3S2 (C21 H28 N2 O3 S2)

Compound Name

N-[2-(3-methylphenyl)ethyl]-4-[(thiophene-2-sulfonamido)methyl]cyclohexane-1-carboxamide

IUPAC name

N-[2-(3-methylphenyl)ethyl]-4-[(thiophene-2-sulfonamido)methyl]cyclohexane-1-carboxamide

SMILES

Cc1cccc(CCNC(C2CCC(CNS(c3cccs3)(=O)=O)CC2)=O)c1

InChI

InChI=1S/C21H28N2O3S2/c1-16-4-2-5-17(14-16)11-12-22-21(24)19-9-7-18(8-10-19)15-23-28(25,26)20-6-3-13-27-20/h2-6,13-14,18-19,23H,7-12,15H2,1H3,(H,22,24)

InChI Key

UJLMCFOZGMQZEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15112221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.072

Distribution Coefficient, logD

4.072

Water Solubility, LogSw

-4.10

Polar Surface Area

67.462

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

K906-0810 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

PLpro Library (6343 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K906-0810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-0810?
Check Price and Availability of K906-0810, 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 K906-0810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-0810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-0810
  • 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 K906-0810 available by request