V022-6787 Screening compound: N-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzamide

V022-6787 Screening compound: N-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzamide
V022-6787 Screening compound: N-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-6787
N-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}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

V022-6787

Molecular Formula

C31H33F3N2O3 (C31 H33 F3 N2 O3)

Compound Name

N-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzamide

IUPAC name

N-({1-[(2H-13-benzodioxol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzamide

SMILES

CC(C)CN(CC(CN(Cc(cc1)cc2c1OCO2)C1)C1c1cccc(C(F)(F)F)c1)C(c1ccccc1)=O

InChI

InChI=1S/C31H33F3N2O3/c1-21(2)15-36(30(37)23-7-4-3-5-8-23)18-25-17-35(16-22-11-12-28-29(13-22)39-20-38-28)19-27(25)24-9-6-10-26(14-24)31(32,33)34/h3-14,21,25,27H,15-20H2,1-2H3

InChI Key

BZAJHVYCKFSBJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19922460

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

538.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.410

Distribution Coefficient, logD

2.417

Water Solubility, LogSw

-5.71

Polar Surface Area

37.259

Acid Dissociation Constant (pKa)

23.12

Base Dissociation Constant (pKb)

11.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.70

V022-6787 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V022-6787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-6787?
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What is the minimum amount of V022-6787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-6787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-6787
  • 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 V022-6787 available by request