1222-0530 Screening compound: 2-chloro-6-(4-hexylcyclohexyl)pyridine-3-carbonitrile

1222-0530 Screening compound: 2-chloro-6-(4-hexylcyclohexyl)pyridine-3-carbonitrile
1222-0530 Screening compound: 2-chloro-6-(4-hexylcyclohexyl)pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1222-0530
2-chloro-6-(4-hexylcyclohexyl)pyridine-3-carbonitrile

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

1222-0530

Molecular Formula

C18H25ClN2 (C18 H25 ClN2)

Compound Name

2-chloro-6-(4-hexylcyclohexyl)pyridine-3-carbonitrile

IUPAC name

2-chloro-6-(4-hexylcyclohexyl)pyridine-3-carbonitrile

SMILES

CCCCCCC(CC1)CCC1c(nc1Cl)ccc1C#N

InChI

InChI=1S/C18H25ClN2/c1-2-3-4-5-6-14-7-9-15(10-8-14)17-12-11-16(13-20)18(19)21-17/h11-12,14-15H,2-10H2,1H3

InChI Key

PEGFHNBROCGKTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00480851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.86

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.638

Distribution Coefficient, logD

6.638

Water Solubility, LogSw

-6.57

Polar Surface Area

26.468

Acid Dissociation Constant (pKa)

25.67

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

1222-0530 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1222-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1222-0530?
Check Price and Availability of 1222-0530, 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 1222-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1222-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1222-0530
  • 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 1222-0530 available by request