V022-6040 Screening compound: N-({1-[(2-hydroxy-4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)-4-methyl-N-(2-methylpropyl)benzamide

V022-6040 Screening compound: N-({1-[(2-hydroxy-4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)-4-methyl-N-(2-methylpropyl)benzamide
V022-6040 Screening compound: N-({1-[(2-hydroxy-4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)-4-methyl-N-(2-methylpropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-6040
N-({1-[(2-hydroxy-4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)-4-methyl-N-(2-methylpropyl)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

V022-6040

Molecular Formula

C32H37F3N2O3 (C32 H37 F3 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(CC(CN(Cc(ccc(OC)c1)c1O)C1)C1c1cccc(C(F)(F)F)c1)C(c1ccc(C)cc1)=O

InChI

InChI=1S/C32H37F3N2O3/c1-21(2)16-37(31(39)23-10-8-22(3)9-11-23)19-26-18-36(17-25-12-13-28(40-4)15-30(25)38)20-29(26)24-6-5-7-27(14-24)32(33,34)35/h5-15,21,26,29,38H,16-20H2,1-4H3

InChI Key

MLYGPPXWVSMZID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19922463

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

554.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.839

Distribution Coefficient, logD

4.577

Water Solubility, LogSw

-5.53

Polar Surface Area

44.235

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

9.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.60

V022-6040 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V022-6040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-6040?
Check Price and Availability of V022-6040, 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 V022-6040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-6040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-6040
  • 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 V022-6040 available by request