5308-0056 Screening compound: 4-(4-chlorophenoxy)-2,3,5-trifluoro-6-(pyrrolidin-1-yl)pyridine

5308-0056 Screening compound: 4-(4-chlorophenoxy)-2,3,5-trifluoro-6-(pyrrolidin-1-yl)pyridine
5308-0056 Screening compound: 4-(4-chlorophenoxy)-2,3,5-trifluoro-6-(pyrrolidin-1-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5308-0056
4-(4-chlorophenoxy)-2,3,5-trifluoro-6-(pyrrolidin-1-yl)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

5308-0056

Molecular Formula

C15H12ClF3N2O (C15 H12 ClF3 N2 O)

Compound Name

4-(4-chlorophenoxy)-2,3,5-trifluoro-6-(pyrrolidin-1-yl)pyridine

IUPAC name

4-(4-chlorophenoxy)-235-trifluoro-6-(pyrrolidin-1-yl)pyridine

SMILES

Fc(c(Oc(cc1)ccc1Cl)c1F)c(N2CCCC2)nc1F

InChI

InChI=1S/C15H12ClF3N2O/c16-9-3-5-10(6-4-9)22-13-11(17)14(19)20-15(12(13)18)21-7-1-2-8-21/h3-6H,1-2,7-8H2

InChI Key

YEYDITXIHIJFCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.72

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.217

Distribution Coefficient, logD

5.217

Water Solubility, LogSw

-5.92

Polar Surface Area

22.179

Acid Dissociation Constant (pKa)

22.78

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

5308-0056 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5308-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5308-0056?
Check Price and Availability of 5308-0056, 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 5308-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5308-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5308-0056
  • 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 5308-0056 available by request