5323-0021 Screening compound: 2-[(4-fluorophenyl)amino]-4,6-dimethylpyridine-3-carbonitrile

5323-0021 Screening compound: 2-[(4-fluorophenyl)amino]-4,6-dimethylpyridine-3-carbonitrile
5323-0021 Screening compound: 2-[(4-fluorophenyl)amino]-4,6-dimethylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5323-0021
2-[(4-fluorophenyl)amino]-4,6-dimethylpyridine-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

5323-0021

Molecular Formula

C14H12FN3 (C14 H12 FN3)

Compound Name

2-[(4-fluorophenyl)amino]-4,6-dimethylpyridine-3-carbonitrile

IUPAC name

2-[(4-fluorophenyl)amino]-46-dimethylpyridine-3-carbonitrile

SMILES

Cc(cc(C)nc1Nc(cc2)ccc2F)c1C#N

InChI

InChI=1S/C14H12FN3/c1-9-7-10(2)17-14(13(9)8-16)18-12-5-3-11(15)4-6-12/h3-7H,1-2H3,(H,17,18)

InChI Key

IPTZFPMJDLVYMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01326148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

241.27

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.317

Distribution Coefficient, logD

3.317

Water Solubility, LogSw

-3.37

Polar Surface Area

35.269

Acid Dissociation Constant (pKa)

15.56

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

5323-0021 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 5323-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5323-0021?
Check Price and Availability of 5323-0021, 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 5323-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5323-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5323-0021
  • 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 5323-0021 available by request