1222-0523 Screening compound: (2E)-3-{4-[5-(4-pentylphenyl)pyridin-2-yl]phenyl}prop-2-enenitrile

1222-0523 Screening compound: (2E)-3-{4-[5-(4-pentylphenyl)pyridin-2-yl]phenyl}prop-2-enenitrile
1222-0523 Screening compound: (2E)-3-{4-[5-(4-pentylphenyl)pyridin-2-yl]phenyl}prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1222-0523
(2E)-3-{4-[5-(4-pentylphenyl)pyridin-2-yl]phenyl}prop-2-enenitrile

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

1222-0523

Molecular Formula

C25H24N2 (C25 H24 N2)

Compound Name

(2E)-3-{4-[5-(4-pentylphenyl)pyridin-2-yl]phenyl}prop-2-enenitrile

IUPAC name

(2E)-3-{4-[5-(4-pentylphenyl)pyridin-2-yl]phenyl}prop-2-enenitrile

SMILES

CCCCCc(cc1)ccc1-c(cc1)cnc1-c1ccc(/C=C/C#N)cc1

InChI

InChI=1S/C25H24N2/c1-2-3-4-6-20-8-12-22(13-9-20)24-16-17-25(27-19-24)23-14-10-21(11-15-23)7-5-18-26/h5,7-17,19H,2-4,6H2,1H3

InChI Key

IJTUUYMKWWAOAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.407

Distribution Coefficient, logD

7.405

Water Solubility, LogSw

-5.82

Polar Surface Area

26.325

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

1222-0523 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 1222-0523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1222-0523?
Check Price and Availability of 1222-0523, 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 1222-0523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1222-0523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1222-0523
  • 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 1222-0523 available by request