5308-0036 Screening compound: methyl 4-(4-chlorophenoxy)-2,3,5-trifluoro-6-(piperidin-1-yl)benzoate

5308-0036 Screening compound: methyl 4-(4-chlorophenoxy)-2,3,5-trifluoro-6-(piperidin-1-yl)benzoate
5308-0036 Screening compound: methyl 4-(4-chlorophenoxy)-2,3,5-trifluoro-6-(piperidin-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5308-0036
methyl 4-(4-chlorophenoxy)-2,3,5-trifluoro-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

5308-0036

Molecular Formula

C19H17ClF3NO3 (C19 H17 ClF3 NO3)

Compound Name

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

IUPAC name

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

SMILES

COC(c(c(N1CCCCC1)c(c(Oc(cc1)ccc1Cl)c1F)F)c1F)=O

InChI

InChI=1S/C19H17ClF3NO3/c1-26-19(25)13-14(21)15(22)18(27-12-7-5-11(20)6-8-12)16(23)17(13)24-9-3-2-4-10-24/h5-8H,2-4,9-10H2,1H3

InChI Key

PFZJBFXSTMAJCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.8

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

5.705

Distribution Coefficient, logD

5.705

Water Solubility, LogSw

-6.22

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

31.60

References: we are preparing a list of scientific research reports with 5308-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5308-0036?
Check Price and Availability of 5308-0036, 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 5308-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5308-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5308-0036
  • 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 5308-0036 available by request