1222-0441 Screening compound: 5-(4-ethylcyclohexyl)-2-{4-[2-(4-propylcyclohexyl)ethyl]phenyl}pyridine

1222-0441 Screening compound: 5-(4-ethylcyclohexyl)-2-{4-[2-(4-propylcyclohexyl)ethyl]phenyl}pyridine
1222-0441 Screening compound: 5-(4-ethylcyclohexyl)-2-{4-[2-(4-propylcyclohexyl)ethyl]phenyl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1222-0441
5-(4-ethylcyclohexyl)-2-{4-[2-(4-propylcyclohexyl)ethyl]phenyl}pyridine

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

1222-0441

Molecular Formula

C30H43N (C30 H43 N)

Compound Name

5-(4-ethylcyclohexyl)-2-{4-[2-(4-propylcyclohexyl)ethyl]phenyl}pyridine

IUPAC name

5-(4-ethylcyclohexyl)-2-{4-[2-(4-propylcyclohexyl)ethyl]phenyl}pyridine

SMILES

CCCC1CCC(CCc(cc2)ccc2-c2ncc(C3CCC(CC)CC3)cc2)CC1

InChI

InChI=1S/C30H43N/c1-3-5-24-6-8-25(9-7-24)10-11-26-14-18-28(19-15-26)30-21-20-29(22-31-30)27-16-12-23(4-2)13-17-27/h14-15,18-25,27H,3-13,16-17H2,1-2H3

InChI Key

JFVWTWYSJTVWRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.68

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

9.953

Distribution Coefficient, logD

9.945

Water Solubility, LogSw

-5.96

Polar Surface Area

8.945

Acid Dissociation Constant (pKa)

21.95

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.30

1222-0441 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1222-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1222-0441?
Check Price and Availability of 1222-0441, 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 1222-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1222-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1222-0441
  • 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 1222-0441 available by request