K786-5351 Screening compound: 3-[3-(butylsulfanyl)propyl]-1-(2,4-dimethoxyphenyl)urea

K786-5351 Screening compound: 3-[3-(butylsulfanyl)propyl]-1-(2,4-dimethoxyphenyl)urea
K786-5351 Screening compound: 3-[3-(butylsulfanyl)propyl]-1-(2,4-dimethoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-5351
3-[3-(butylsulfanyl)propyl]-1-(2,4-dimethoxyphenyl)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

K786-5351

Molecular Formula

C16H26N2O3S (C16 H26 N2 O3 S)

Compound Name

3-[3-(butylsulfanyl)propyl]-1-(2,4-dimethoxyphenyl)urea

IUPAC name

3-[3-(butylsulfanyl)propyl]-1-(24-dimethoxyphenyl)urea

SMILES

CCCCSCCCNC(Nc(ccc(OC)c1)c1OC)=O

InChI

InChI=1S/C16H26N2O3S/c1-4-5-10-22-11-6-9-17-16(19)18-14-8-7-13(20-2)12-15(14)21-3/h7-8,12H,4-6,9-11H2,1-3H3,(H2,17,18,19)

InChI Key

QOBGIOJSGUIGMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15101239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.342

Distribution Coefficient, logD

3.342

Water Solubility, LogSw

-3.53

Polar Surface Area

48.453

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

K786-5351 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K786-5351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5351?
Check Price and Availability of K786-5351, 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 K786-5351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5351
  • 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 K786-5351 available by request