5271-0006 Screening compound: methyl 2-{[2,3,5-trifluoro-6-(pyrrolidin-1-yl)pyridin-4-yl]oxy}benzoate

5271-0006 Screening compound: methyl 2-{[2,3,5-trifluoro-6-(pyrrolidin-1-yl)pyridin-4-yl]oxy}benzoate
5271-0006 Screening compound: methyl 2-{[2,3,5-trifluoro-6-(pyrrolidin-1-yl)pyridin-4-yl]oxy}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5271-0006
methyl 2-{[2,3,5-trifluoro-6-(pyrrolidin-1-yl)pyridin-4-yl]oxy}benzoate

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

5271-0006

Molecular Formula

C17H15F3N2O3 (C17 H15 F3 N2 O3)

Compound Name

methyl 2-{[2,3,5-trifluoro-6-(pyrrolidin-1-yl)pyridin-4-yl]oxy}benzoate

IUPAC name

methyl 2-{[235-trifluoro-6-(pyrrolidin-1-yl)pyridin-4-yl]oxy}benzoate

SMILES

COC(c(cccc1)c1Oc(c(F)c(N1CCCC1)nc1F)c1F)=O

InChI

InChI=1S/C17H15F3N2O3/c1-24-17(23)10-6-2-3-7-11(10)25-14-12(18)15(20)21-16(13(14)19)22-8-4-5-9-22/h2-3,6-7H,4-5,8-9H2,1H3

InChI Key

JZTFRKWUBGRDJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.551

Distribution Coefficient, logD

4.551

Water Solubility, LogSw

-4.56

Polar Surface Area

43.439

Acid Dissociation Constant (pKa)

22.78

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

5271-0006 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5271-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5271-0006?
Check Price and Availability of 5271-0006, 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 5271-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5271-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5271-0006
  • 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 5271-0006 available by request