V016-6076 Screening compound: N-benzyl-N-{[4-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl}cyclopentanecarboxamide

V016-6076 Screening compound: N-benzyl-N-{[4-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl}cyclopentanecarboxamide
V016-6076 Screening compound: N-benzyl-N-{[4-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl}cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6076
N-benzyl-N-{[4-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl}cyclopentanecarboxamide

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

V016-6076

Molecular Formula

C33H40N2O2 (C33 H40 N2 O2)

Compound Name

N-benzyl-N-{[4-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl}cyclopentanecarboxamide

IUPAC name

N-benzyl-N-{[4-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl}cyclopentanecarboxamide

SMILES

Cc1ccc(CN(CC2CN(Cc3ccccc3)C(C3CCCC3)=O)CC2c2cc(OC)ccc2)cc1

InChI

InChI=1S/C33H40N2O2/c1-25-15-17-27(18-16-25)20-34-22-30(32(24-34)29-13-8-14-31(19-29)37-2)23-35(21-26-9-4-3-5-10-26)33(36)28-11-6-7-12-28/h3-5,8-10,13-19,28,30,32H,6-7,11-12,20-24H2,1-2H3

InChI Key

YPZOZTHPMMIFSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19922514

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

496.69

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.552

Distribution Coefficient, logD

4.177

Water Solubility, LogSw

-5.52

Polar Surface Area

27.974

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

9.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.42

V016-6076 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V016-6076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6076?
Check Price and Availability of V016-6076, 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 V016-6076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6076
  • 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 V016-6076 available by request