K786-4041 Screening compound: 3-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]-1-[(pyridin-3-yl)methyl]urea

K786-4041 Screening compound: 3-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]-1-[(pyridin-3-yl)methyl]urea
K786-4041 Screening compound: 3-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]-1-[(pyridin-3-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-4041
3-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]-1-[(pyridin-3-yl)methyl]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

K786-4041

Molecular Formula

C21H20ClN3O (C21 H20 ClN3 O)

Compound Name

3-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]-1-[(pyridin-3-yl)methyl]urea

IUPAC name

3-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]-1-[(pyridin-3-yl)methyl]urea

SMILES

Cc1ccc(CN(Cc2cnccc2)C(Nc(cc2)ccc2Cl)=O)cc1

InChI

InChI=1S/C21H20ClN3O/c1-16-4-6-17(7-5-16)14-25(15-18-3-2-12-23-13-18)21(26)24-20-10-8-19(22)9-11-20/h2-13H,14-15H2,1H3,(H,24,26)

InChI Key

QKCWAELAIZALEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03636363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.178

Distribution Coefficient, logD

4.178

Water Solubility, LogSw

-4.50

Polar Surface Area

34.517

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

K786-4041 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K786-4041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-4041?
Check Price and Availability of K786-4041, 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 K786-4041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-4041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-4041
  • 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 K786-4041 available by request