V004-3131 Screening compound: N-({1-[(furan-2-yl)methyl]-4-phenylpyrrolidin-3-yl}methyl)-4-methyl-N-(2-methylpropyl)benzamide

V004-3131 Screening compound: N-({1-[(furan-2-yl)methyl]-4-phenylpyrrolidin-3-yl}methyl)-4-methyl-N-(2-methylpropyl)benzamide
V004-3131 Screening compound: N-({1-[(furan-2-yl)methyl]-4-phenylpyrrolidin-3-yl}methyl)-4-methyl-N-(2-methylpropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3131
N-({1-[(furan-2-yl)methyl]-4-phenylpyrrolidin-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

V004-3131

Molecular Formula

C28H34N2O2 (C28 H34 N2 O2)

Compound Name

N-({1-[(furan-2-yl)methyl]-4-phenylpyrrolidin-3-yl}methyl)-4-methyl-N-(2-methylpropyl)benzamide

IUPAC name

N-({1-[(furan-2-yl)methyl]-4-phenylpyrrolidin-3-yl}methyl)-4-methyl-N-(2-methylpropyl)benzamide

SMILES

CC(C)CN(CC(CN(Cc1ccco1)C1)C1c1ccccc1)C(c1ccc(C)cc1)=O

InChI

InChI=1S/C28H34N2O2/c1-21(2)16-30(28(31)24-13-11-22(3)12-14-24)18-25-17-29(19-26-10-7-15-32-26)20-27(25)23-8-5-4-6-9-23/h4-15,21,25,27H,16-20H2,1-3H3

InChI Key

DXMBMFXQBCQOND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19922371

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

430.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.641

Distribution Coefficient, logD

4.049

Water Solubility, LogSw

-5.40

Polar Surface Area

27.892

Acid Dissociation Constant (pKa)

23.12

Base Dissociation Constant (pKb)

8.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.30

V004-3131 in Drug Discovery

Included in Screening Libraries

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V004-3131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3131?
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What is the minimum amount of V004-3131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3131
  • 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 V004-3131 available by request