K786-5355 Screening compound: 3-[3-(butylsulfanyl)propyl]-1-(3,4-dimethylphenyl)urea

K786-5355 Screening compound: 3-[3-(butylsulfanyl)propyl]-1-(3,4-dimethylphenyl)urea
K786-5355 Screening compound: 3-[3-(butylsulfanyl)propyl]-1-(3,4-dimethylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-5355
3-[3-(butylsulfanyl)propyl]-1-(3,4-dimethylphenyl)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

K786-5355

Molecular Formula

C16H26N2OS (C16 H26 N2 OS)

Compound Name

3-[3-(butylsulfanyl)propyl]-1-(3,4-dimethylphenyl)urea

IUPAC name

3-[3-(butylsulfanyl)propyl]-1-(34-dimethylphenyl)urea

SMILES

CCCCSCCCNC(Nc1cc(C)c(C)cc1)=O

InChI

InChI=1S/C16H26N2OS/c1-4-5-10-20-11-6-9-17-16(19)18-15-8-7-13(2)14(3)12-15/h7-8,12H,4-6,9-11H2,1-3H3,(H2,17,18,19)

InChI Key

YFBGPBRSDDKTQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03832370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.583

Distribution Coefficient, logD

4.583

Water Solubility, LogSw

-4.30

Polar Surface Area

33.977

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

K786-5355 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K786-5355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5355?
Check Price and Availability of K786-5355, 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 K786-5355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5355
  • 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 K786-5355 available by request