6732-0091 Screening compound: diethyl [(4-methylphenyl)({[3-(trifluoromethyl)phenyl]amino})methyl]phosphonate

6732-0091 Screening compound: diethyl [(4-methylphenyl)({[3-(trifluoromethyl)phenyl]amino})methyl]phosphonate
6732-0091 Screening compound: diethyl [(4-methylphenyl)({[3-(trifluoromethyl)phenyl]amino})methyl]phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6732-0091
diethyl [(4-methylphenyl)({[3-(trifluoromethyl)phenyl]amino})methyl]phosphonate

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

6732-0091

Molecular Formula

C19H23F3NO3P (C19 H23 F3 NO3 P)

Compound Name

diethyl [(4-methylphenyl)({[3-(trifluoromethyl)phenyl]amino})methyl]phosphonate

IUPAC name

diethyl [(4-methylphenyl)({[3-(trifluoromethyl)phenyl]amino})methyl]phosphonate

SMILES

CCOP(C(c1ccc(C)cc1)Nc1cc(C(F)(F)F)ccc1)(OCC)=O

InChI

InChI=1S/C19H23F3NO3P/c1-4-25-27(24,26-5-2)18(15-11-9-14(3)10-12-15)23-17-8-6-7-16(13-17)19(20,21)22/h6-13,18,23H,4-5H2,1-3H3/t18-/m0/s1

InChI Key

QCOOWRKYSXWUEM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00367394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.136

Distribution Coefficient, logD

5.136

Water Solubility, LogSw

-5.30

Polar Surface Area

40.115

Acid Dissociation Constant (pKa)

16.23

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

6732-0091 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6732-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6732-0091?
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What is the minimum amount of 6732-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6732-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6732-0091
  • 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 6732-0091 available by request