V024-1661 Screening compound: 2-{4-[(4-benzylpiperidin-1-yl)methyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline

V024-1661 Screening compound: 2-{4-[(4-benzylpiperidin-1-yl)methyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline
V024-1661 Screening compound: 2-{4-[(4-benzylpiperidin-1-yl)methyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-1661
2-{4-[(4-benzylpiperidin-1-yl)methyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline

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

V024-1661

Molecular Formula

C29H32N2O (C29 H32 N2 O)

Compound Name

2-{4-[(4-benzylpiperidin-1-yl)methyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{4-[(4-benzylpiperidin-1-yl)methyl]benzoyl}-1234-tetrahydroisoquinoline

SMILES

O=C(c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C29H32N2O/c32-29(31-19-16-26-8-4-5-9-28(26)22-31)27-12-10-25(11-13-27)21-30-17-14-24(15-18-30)20-23-6-2-1-3-7-23/h1-13,24H,14-22H2

InChI Key

FVDPSMRUGBYGRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02639876

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

424.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.451

Distribution Coefficient, logD

4.526

Water Solubility, LogSw

-5.89

Polar Surface Area

20.010

Acid Dissociation Constant (pKa)

25.26

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

V024-1661 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V024-1661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-1661?
Check Price and Availability of V024-1661, 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 V024-1661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-1661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-1661
  • 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 V024-1661 available by request