K786-4039 Screening compound: 3-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-1-[(pyridin-3-yl)methyl]urea

K786-4039 Screening compound: 3-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-1-[(pyridin-3-yl)methyl]urea
K786-4039 Screening compound: 3-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-1-[(pyridin-3-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-4039
3-(3,4-dimethylphenyl)-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

K786-4039

Molecular Formula

C23H25N3O (C23 H25 N3 O)

Compound Name

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

IUPAC name

3-(34-dimethylphenyl)-1-[(4-methylphenyl)methyl]-1-[(pyridin-3-yl)methyl]urea

SMILES

Cc1ccc(CN(Cc2cnccc2)C(Nc2cc(C)c(C)cc2)=O)cc1

InChI

InChI=1S/C23H25N3O/c1-17-6-9-20(10-7-17)15-26(16-21-5-4-12-24-14-21)23(27)25-22-11-8-18(2)19(3)13-22/h4-14H,15-16H2,1-3H3,(H,25,27)

InChI Key

KUEGLMQLBHWLFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03831935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

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

4.571

Distribution Coefficient, logD

4.571

Water Solubility, LogSw

-4.05

Polar Surface Area

34.517

Acid Dissociation Constant (pKa)

14.68

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

K786-4039 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with K786-4039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-4039?
Check Price and Availability of K786-4039, 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 K786-4039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-4039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-4039
  • 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 K786-4039 available by request