V028-4219 Screening compound: 1-{[3,5-bis(trifluoromethyl)phenyl]methyl}-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

V028-4219 Screening compound: 1-{[3,5-bis(trifluoromethyl)phenyl]methyl}-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
V028-4219 Screening compound: 1-{[3,5-bis(trifluoromethyl)phenyl]methyl}-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-4219
1-{[3,5-bis(trifluoromethyl)phenyl]methyl}-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-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

V028-4219

Molecular Formula

C22H20F6N2O2 (C22 H20 F6 N2 O2)

Compound Name

1-{[3,5-bis(trifluoromethyl)phenyl]methyl}-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-{[35-bis(trifluoromethyl)phenyl]methyl}-N-(35-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

SMILES

Cc1cc(NC(C(C2)CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2=O)=O)cc(C)c1

InChI

InChI=1S/C22H20F6N2O2/c1-12-3-13(2)5-18(4-12)29-20(32)15-8-19(31)30(11-15)10-14-6-16(21(23,24)25)9-17(7-14)22(26,27)28/h3-7,9,15H,8,10-11H2,1-2H3,(H,29,32)/t15-/m1/s1

InChI Key

LPKAWVLAXDCUPW-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD19972047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.4

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

4.146

Distribution Coefficient, logD

4.146

Water Solubility, LogSw

-4.19

Polar Surface Area

40.525

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

V028-4219 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 V028-4219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4219?
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What is the minimum amount of V028-4219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4219
  • 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 V028-4219 available by request