FF11-0269 Screening compound: 5-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidine-3-carboxylic acid

FF11-0269 Screening compound: 5-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidine-3-carboxylic acid
FF11-0269 Screening compound: 5-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound FF11-0269
5-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidine-3-carboxylic 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

FF11-0269

Molecular Formula

C13H12F3NO3 (C13 H12 F3 NO3)

Compound Name

5-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidine-3-carboxylic acid

IUPAC name

5-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidine-3-carboxylic acid

SMILES

OC(C(C1)CN(Cc2ccc(C(F)(F)F)cc2)C1=O)=O

InChI

InChI=1S/C13H12F3NO3/c14-13(15,16)10-3-1-8(2-4-10)6-17-7-9(12(19)20)5-11(17)18/h1-4,9H,5-7H2,(H,19,20)/t9-/m1/s1

InChI Key

MNYHTPPMXLOVSD-SECBINFHSA-N

MDL Number (MFCD)

MFCD00113268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.976

Distribution Coefficient, logD

-1.573

Water Solubility, LogSw

-1.81

Polar Surface Area

45.842

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

FF11-0269 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Fragment Library (4274 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Soluble Diversity Library (15920 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with FF11-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound FF11-0269?
Check Price and Availability of FF11-0269, 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 FF11-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for FF11-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for FF11-0269
  • 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 FF11-0269 available by request