K786-5342 Screening compound: 1-[3-(cyclohexylsulfanyl)propyl]-3-phenylurea

K786-5342 Screening compound: 1-[3-(cyclohexylsulfanyl)propyl]-3-phenylurea
K786-5342 Screening compound: 1-[3-(cyclohexylsulfanyl)propyl]-3-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-5342
1-[3-(cyclohexylsulfanyl)propyl]-3-phenylurea

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

K786-5342

Molecular Formula

C16H24N2OS (C16 H24 N2 OS)

Compound Name

1-[3-(cyclohexylsulfanyl)propyl]-3-phenylurea

IUPAC name

1-[3-(cyclohexylsulfanyl)propyl]-3-phenylurea

SMILES

O=C(NCCCSC1CCCCC1)Nc1ccccc1

InChI

InChI=1S/C16H24N2OS/c19-16(18-14-8-3-1-4-9-14)17-12-7-13-20-15-10-5-2-6-11-15/h1,3-4,8-9,15H,2,5-7,10-13H2,(H2,17,18,19)

InChI Key

ICWLXSVSAUOCLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03832362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.955

Distribution Coefficient, logD

3.955

Water Solubility, LogSw

-3.94

Polar Surface Area

33.897

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

K786-5342 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K786-5342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5342?
Check Price and Availability of K786-5342, 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 K786-5342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5342
  • 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 K786-5342 available by request