K786-4027 Screening compound: 3-[(2-chlorophenyl)methyl]-1-(4-ethylphenyl)-3-[(pyridin-3-yl)methyl]urea

K786-4027 Screening compound: 3-[(2-chlorophenyl)methyl]-1-(4-ethylphenyl)-3-[(pyridin-3-yl)methyl]urea
K786-4027 Screening compound: 3-[(2-chlorophenyl)methyl]-1-(4-ethylphenyl)-3-[(pyridin-3-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-4027
3-[(2-chlorophenyl)methyl]-1-(4-ethylphenyl)-3-[(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

K786-4027

Molecular Formula

C22H22ClN3O (C22 H22 ClN3 O)

Compound Name

3-[(2-chlorophenyl)methyl]-1-(4-ethylphenyl)-3-[(pyridin-3-yl)methyl]urea

IUPAC name

3-[(2-chlorophenyl)methyl]-1-(4-ethylphenyl)-3-[(pyridin-3-yl)methyl]urea

SMILES

CCc(cc1)ccc1NC(N(Cc1cnccc1)Cc(cccc1)c1Cl)=O

InChI

InChI=1S/C22H22ClN3O/c1-2-17-9-11-20(12-10-17)25-22(27)26(15-18-6-5-13-24-14-18)16-19-7-3-4-8-21(19)23/h3-14H,2,15-16H2,1H3,(H,25,27)

InChI Key

KODUHGNVZSMEBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03831927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.89

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.861

Distribution Coefficient, logD

4.861

Water Solubility, LogSw

-4.80

Polar Surface Area

34.517

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with K786-4027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-4027?
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What is the minimum amount of K786-4027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-4027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-4027
  • 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 K786-4027 available by request