V022-6820 Screening compound: 4-methyl-N-(2-methylpropyl)-N-({4-[3-(trifluoromethyl)phenyl]-1-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl}methyl)benzamide

V022-6820 Screening compound: 4-methyl-N-(2-methylpropyl)-N-({4-[3-(trifluoromethyl)phenyl]-1-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl}methyl)benzamide
V022-6820 Screening compound: 4-methyl-N-(2-methylpropyl)-N-({4-[3-(trifluoromethyl)phenyl]-1-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-6820
4-methyl-N-(2-methylpropyl)-N-({4-[3-(trifluoromethyl)phenyl]-1-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl}methyl)benzamide

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

V022-6820

Molecular Formula

C32H34F6N2O (C32 H34 F6 N2 O)

Compound Name

4-methyl-N-(2-methylpropyl)-N-({4-[3-(trifluoromethyl)phenyl]-1-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl}methyl)benzamide

IUPAC name

4-methyl-N-(2-methylpropyl)-N-({4-[3-(trifluoromethyl)phenyl]-1-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl}methyl)benzamide

SMILES

CC(C)CN(CC(CN(Cc1cc(C(F)(F)F)ccc1)C1)C1c1cccc(C(F)(F)F)c1)C(c1ccc(C)cc1)=O

InChI

InChI=1S/C32H34F6N2O/c1-21(2)16-40(30(41)24-12-10-22(3)11-13-24)19-26-18-39(17-23-6-4-8-27(14-23)31(33,34)35)20-29(26)25-7-5-9-28(15-25)32(36,37)38/h4-15,21,26,29H,16-20H2,1-3H3

InChI Key

LRLFKNQGLFKLBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19893411

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

576.63

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.824

Distribution Coefficient, logD

5.944

Water Solubility, LogSw

-5.66

Polar Surface Area

20.143

Acid Dissociation Constant (pKa)

23.12

Base Dissociation Constant (pKb)

9.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.60

V022-6820 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V022-6820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-6820?
Check Price and Availability of V022-6820, 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 V022-6820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-6820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-6820
  • 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 V022-6820 available by request