K786-4029 Screening compound: 1-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)-1-[(pyridin-3-yl)methyl]urea

K786-4029 Screening compound: 1-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)-1-[(pyridin-3-yl)methyl]urea
K786-4029 Screening compound: 1-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)-1-[(pyridin-3-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-4029
1-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)-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

K786-4029

Molecular Formula

C20H16Cl3N3O (C20 H16 Cl3 N3 O)

Compound Name

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

IUPAC name

1-[(2-chlorophenyl)methyl]-3-(34-dichlorophenyl)-1-[(pyridin-3-yl)methyl]urea

SMILES

O=C(Nc(cc1)cc(Cl)c1Cl)N(Cc1cnccc1)Cc(cccc1)c1Cl

InChI

InChI=1S/C20H16Cl3N3O/c21-17-6-2-1-5-15(17)13-26(12-14-4-3-9-24-11-14)20(27)25-16-7-8-18(22)19(23)10-16/h1-11H,12-13H2,(H,25,27)

InChI Key

XJPODOXZNIJWLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03636522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.72

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

5.404

Distribution Coefficient, logD

5.404

Water Solubility, LogSw

-6.07

Polar Surface Area

34.517

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

K786-4029 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 K786-4029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-4029?
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What is the minimum amount of K786-4029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-4029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-4029
  • 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 K786-4029 available by request