5308-0027 Screening compound: methyl 2,3,5-trifluoro-4-(4-methylphenoxy)-6-(piperidin-1-yl)benzoate

5308-0027 Screening compound: methyl 2,3,5-trifluoro-4-(4-methylphenoxy)-6-(piperidin-1-yl)benzoate
5308-0027 Screening compound: methyl 2,3,5-trifluoro-4-(4-methylphenoxy)-6-(piperidin-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5308-0027
methyl 2,3,5-trifluoro-4-(4-methylphenoxy)-6-(piperidin-1-yl)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

5308-0027

Molecular Formula

C20H20F3NO3 (C20 H20 F3 NO3)

Compound Name

methyl 2,3,5-trifluoro-4-(4-methylphenoxy)-6-(piperidin-1-yl)benzoate

IUPAC name

methyl 235-trifluoro-4-(4-methylphenoxy)-6-(piperidin-1-yl)benzoate

SMILES

Cc(cc1)ccc1Oc(c(F)c(c(C(OC)=O)c1N2CCCCC2)F)c1F

InChI

InChI=1S/C20H20F3NO3/c1-12-6-8-13(9-7-12)27-19-16(22)15(21)14(20(25)26-2)18(17(19)23)24-10-4-3-5-11-24/h6-9H,3-5,10-11H2,1-2H3

InChI Key

VLZHYVAUMVDUOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.534

Distribution Coefficient, logD

5.534

Water Solubility, LogSw

-5.48

Polar Surface Area

31.184

Acid Dissociation Constant (pKa)

27.25

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

5308-0027 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5308-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5308-0027?
Check Price and Availability of 5308-0027, 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 5308-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5308-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5308-0027
  • 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 5308-0027 available by request