K938-0805 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(4-methylbenzenesulfonamido)methyl]cyclohexane-1-carboxamide

K938-0805 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(4-methylbenzenesulfonamido)methyl]cyclohexane-1-carboxamide
K938-0805 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(4-methylbenzenesulfonamido)methyl]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K938-0805
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(4-methylbenzenesulfonamido)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

K938-0805

Molecular Formula

C23H28N2O5S (C23 H28 N2 O5 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(4-methylbenzenesulfonamido)methyl]cyclohexane-1-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-[(4-methylbenzenesulfonamido)methyl]cyclohexane-1-carboxamide

SMILES

Cc(cc1)ccc1S(NCC(CC1)CCC1C(NCc(cc1)cc2c1OCO2)=O)(=O)=O

InChI

InChI=1S/C23H28N2O5S/c1-16-2-9-20(10-3-16)31(27,28)25-14-17-4-7-19(8-5-17)23(26)24-13-18-6-11-21-22(12-18)30-15-29-21/h2-3,6,9-12,17,19,25H,4-5,7-8,13-15H2,1H3,(H,24,26)

InChI Key

QOYCMGCBHTZDAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15114897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.55

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

4.093

Distribution Coefficient, logD

4.093

Water Solubility, LogSw

-4.20

Polar Surface Area

83.718

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

K938-0805 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K938-0805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K938-0805?
Check Price and Availability of K938-0805, 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 K938-0805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K938-0805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K938-0805
  • 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 K938-0805 available by request