V004-0608 Screening compound: 1-(4-ethylphenyl)-5-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidine-3-carboxamide

V004-0608 Screening compound: 1-(4-ethylphenyl)-5-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidine-3-carboxamide
V004-0608 Screening compound: 1-(4-ethylphenyl)-5-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0608
1-(4-ethylphenyl)-5-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidine-3-carboxamide

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

V004-0608

Molecular Formula

C21H21F3N2O2 (C21 H21 F3 N2 O2)

Compound Name

1-(4-ethylphenyl)-5-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidine-3-carboxamide

IUPAC name

1-(4-ethylphenyl)-5-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidine-3-carboxamide

SMILES

CCc(cc1)ccc1N(CC(C1)C(NCc2cccc(C(F)(F)F)c2)=O)C1=O

InChI

InChI=1S/C21H21F3N2O2/c1-2-14-6-8-18(9-7-14)26-13-16(11-19(26)27)20(28)25-12-15-4-3-5-17(10-15)21(22,23)24/h3-10,16H,2,11-13H2,1H3,(H,25,28)/t16-/m0/s1

InChI Key

BOGUQNKTIISASP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19971767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.677

Distribution Coefficient, logD

3.677

Water Solubility, LogSw

-3.88

Polar Surface Area

41.402

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V004-0608 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V004-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0608?
Check Price and Availability of V004-0608, 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 V004-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0608
  • 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 V004-0608 available by request