5458-1394 Screening compound: [1-(4-chlorophenyl)-2,2,2-trifluoroethoxy](phenyl)phosphinic acid

5458-1394 Screening compound: [1-(4-chlorophenyl)-2,2,2-trifluoroethoxy](phenyl)phosphinic acid
5458-1394 Screening compound: [1-(4-chlorophenyl)-2,2,2-trifluoroethoxy](phenyl)phosphinic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5458-1394
[1-(4-chlorophenyl)-2,2,2-trifluoroethoxy](phenyl)phosphinic acid

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

5458-1394

Molecular Formula

C14H11ClF3O3P (C14 H11 ClF3 O3 P)

Compound Name

[1-(4-chlorophenyl)-2,2,2-trifluoroethoxy](phenyl)phosphinic acid

IUPAC name

[1-(4-chlorophenyl)-222-trifluoroethoxy](phenyl)phosphinic acid

SMILES

OP(c1ccccc1)(OC(C(F)(F)F)c(cc1)ccc1Cl)=O

InChI

InChI=1S/C14H11ClF3O3P/c15-11-8-6-10(7-9-11)13(14(16,17)18)21-22(19,20)12-4-2-1-3-5-12/h1-9,13H,(H,19,20)

InChI Key

ONUIZSVRXOWIGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01348307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.871

Distribution Coefficient, logD

-1.872

Water Solubility, LogSw

-4.43

Polar Surface Area

37.143

Acid Dissociation Constant (pKa)

1.66

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

5458-1394 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5458-1394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5458-1394?
Check Price and Availability of 5458-1394, 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 5458-1394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5458-1394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5458-1394
  • 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 5458-1394 available by request