K786-5354 Screening compound: 3-[3-(butylsulfanyl)propyl]-1-(4-chlorophenyl)urea

K786-5354 Screening compound: 3-[3-(butylsulfanyl)propyl]-1-(4-chlorophenyl)urea
K786-5354 Screening compound: 3-[3-(butylsulfanyl)propyl]-1-(4-chlorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-5354
3-[3-(butylsulfanyl)propyl]-1-(4-chlorophenyl)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

K786-5354

Molecular Formula

C14H21ClN2OS (C14 H21 ClN2 OS)

Compound Name

3-[3-(butylsulfanyl)propyl]-1-(4-chlorophenyl)urea

IUPAC name

3-[3-(butylsulfanyl)propyl]-1-(4-chlorophenyl)urea

SMILES

CCCCSCCCNC(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C14H21ClN2OS/c1-2-3-10-19-11-4-9-16-14(18)17-13-7-5-12(15)6-8-13/h5-8H,2-4,9-11H2,1H3,(H2,16,17,18)

InChI Key

XUHFHXIHUITXQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03832369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.85

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

4.190

Distribution Coefficient, logD

4.190

Water Solubility, LogSw

-4.40

Polar Surface Area

33.977

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

K786-5354 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K786-5354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5354?
Check Price and Availability of K786-5354, 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 K786-5354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5354
  • 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 K786-5354 available by request