K938-0812 Screening compound: N-[(2-methoxyphenyl)methyl]-4-[(4-methylbenzenesulfonamido)methyl]cyclohexane-1-carboxamide

K938-0812 Screening compound: N-[(2-methoxyphenyl)methyl]-4-[(4-methylbenzenesulfonamido)methyl]cyclohexane-1-carboxamide
K938-0812 Screening compound: N-[(2-methoxyphenyl)methyl]-4-[(4-methylbenzenesulfonamido)methyl]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K938-0812
N-[(2-methoxyphenyl)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

K938-0812

Molecular Formula

C23H30N2O4S (C23 H30 N2 O4 S)

Compound Name

N-[(2-methoxyphenyl)methyl]-4-[(4-methylbenzenesulfonamido)methyl]cyclohexane-1-carboxamide

IUPAC name

N-[(2-methoxyphenyl)methyl]-4-[(4-methylbenzenesulfonamido)methyl]cyclohexane-1-carboxamide

SMILES

Cc(cc1)ccc1S(NCC(CC1)CCC1C(NCc(cccc1)c1OC)=O)(=O)=O

InChI

InChI=1S/C23H30N2O4S/c1-17-7-13-21(14-8-17)30(27,28)25-15-18-9-11-19(12-10-18)23(26)24-16-20-5-3-4-6-22(20)29-2/h3-8,13-14,18-19,25H,9-12,15-16H2,1-2H3,(H,24,26)

InChI Key

XIDJPKMVQKPCSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15114902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.401

Distribution Coefficient, logD

4.401

Water Solubility, LogSw

-4.38

Polar Surface Area

74.233

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

K938-0812 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

CORONAVIRUS Library (20774 compounds)

Human Kinases Annotated Library (2415 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 K938-0812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K938-0812?
Check Price and Availability of K938-0812, 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 K938-0812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K938-0812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K938-0812
  • 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 K938-0812 available by request