K786-4028 Screening compound: 1-[(2-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)-1-[(pyridin-3-yl)methyl]urea

K786-4028 Screening compound: 1-[(2-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)-1-[(pyridin-3-yl)methyl]urea
K786-4028 Screening compound: 1-[(2-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)-1-[(pyridin-3-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-4028
1-[(2-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)-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

K786-4028

Molecular Formula

C22H22ClN3O3 (C22 H22 ClN3 O3)

Compound Name

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

IUPAC name

n/a

SMILES

COc(cc1)cc(OC)c1NC(N(Cc1cnccc1)Cc(cccc1)c1Cl)=O

InChI

InChI=1S/C22H22ClN3O3/c1-28-18-9-10-20(21(12-18)29-2)25-22(27)26(14-16-6-5-11-24-13-16)15-17-7-3-4-8-19(17)23/h3-13H,14-15H2,1-2H3,(H,25,27)

InChI Key

NEDPJQGRUAGFPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03831928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.071

Distribution Coefficient, logD

4.071

Water Solubility, LogSw

-4.40

Polar Surface Area

48.993

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

K786-4028 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K786-4028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-4028?
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What is the minimum amount of K786-4028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-4028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-4028
  • 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 K786-4028 available by request