K786-5026 Screening compound: 1-[3-(cyclohexylsulfanyl)propyl]-3-(4-ethoxyphenyl)urea

K786-5026 Screening compound: 1-[3-(cyclohexylsulfanyl)propyl]-3-(4-ethoxyphenyl)urea
K786-5026 Screening compound: 1-[3-(cyclohexylsulfanyl)propyl]-3-(4-ethoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-5026
1-[3-(cyclohexylsulfanyl)propyl]-3-(4-ethoxyphenyl)urea

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

K786-5026

Molecular Formula

C18H28N2O2S (C18 H28 N2 O2 S)

Compound Name

1-[3-(cyclohexylsulfanyl)propyl]-3-(4-ethoxyphenyl)urea

IUPAC name

1-[3-(cyclohexylsulfanyl)propyl]-3-(4-ethoxyphenyl)urea

SMILES

CCOc(cc1)ccc1NC(NCCCSC1CCCCC1)=O

InChI

InChI=1S/C18H28N2O2S/c1-2-22-16-11-9-15(10-12-16)20-18(21)19-13-6-14-23-17-7-4-3-5-8-17/h9-12,17H,2-8,13-14H2,1H3,(H2,19,20,21)

InChI Key

WBPXRGFRLWXVGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03832221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.516

Distribution Coefficient, logD

4.516

Water Solubility, LogSw

-4.06

Polar Surface Area

41.021

Acid Dissociation Constant (pKa)

13.49

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

K786-5026 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 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:
  • Immune system

References: we are preparing a list of scientific research reports with K786-5026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5026?
Check Price and Availability of K786-5026, 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 K786-5026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5026
  • 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 K786-5026 available by request