6228-1033 Screening compound: 1-cyclohexyl-3-[(pyridin-3-yl)methyl]urea

6228-1033 Screening compound: 1-cyclohexyl-3-[(pyridin-3-yl)methyl]urea
6228-1033 Screening compound: 1-cyclohexyl-3-[(pyridin-3-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-1033
1-cyclohexyl-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

6228-1033

Molecular Formula

C13H19N3O (C13 H19 N3 O)

Compound Name

1-cyclohexyl-3-[(pyridin-3-yl)methyl]urea

IUPAC name

1-cyclohexyl-3-[(pyridin-3-yl)methyl]urea

SMILES

O=C(NCc1cnccc1)NC1CCCCC1

InChI

InChI=1S/C13H19N3O/c17-13(16-12-6-2-1-3-7-12)15-10-11-5-4-8-14-9-11/h4-5,8-9,12H,1-3,6-7,10H2,(H2,15,16,17)

InChI Key

XXSTXXTVGPRZSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00088190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.501

Distribution Coefficient, logD

1.500

Water Solubility, LogSw

-1.21

Polar Surface Area

44.429

Acid Dissociation Constant (pKa)

15.55

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

6228-1033 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Fragments
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 6228-1033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-1033?
Check Price and Availability of 6228-1033, 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 6228-1033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-1033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-1033
  • 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 6228-1033 available by request