V012-9699 Screening compound: N-benzyl-N-methyl-1'-(3,5,5-trimethylhexanoyl)-[1,4'-bipiperidine]-4-carboxamide

V012-9699 Screening compound: N-benzyl-N-methyl-1'-(3,5,5-trimethylhexanoyl)-[1,4'-bipiperidine]-4-carboxamide
V012-9699 Screening compound: N-benzyl-N-methyl-1'-(3,5,5-trimethylhexanoyl)-[1,4'-bipiperidine]-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-9699
N-benzyl-N-methyl-1'-(3,5,5-trimethylhexanoyl)-[1,4'-bipiperidine]-4-carboxamide

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

V012-9699

Molecular Formula

C28H45N3O2 (C28 H45 N3 O2)

Compound Name

N-benzyl-N-methyl-1'-(3,5,5-trimethylhexanoyl)-[1,4'-bipiperidine]-4-carboxamide

IUPAC name

N-benzyl-N-methyl-1'-(355-trimethylhexanoyl)-[14'-bipiperidine]-4-carboxamide

SMILES

CC(CC(C)(C)C)CC(N(CC1)CCC1N(CC1)CCC1C(N(C)Cc1ccccc1)=O)=O

InChI

InChI=1S/C28H45N3O2/c1-22(20-28(2,3)4)19-26(32)31-17-13-25(14-18-31)30-15-11-24(12-16-30)27(33)29(5)21-23-9-7-6-8-10-23/h6-10,22,24-25H,11-21H2,1-5H3/t22-/m1/s1

InChI Key

ZJWBVEBEFMYSOM-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14288082

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

455.68

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

4.705

Distribution Coefficient, logD

0.026

Water Solubility, LogSw

-4.30

Polar Surface Area

35.875

Acid Dissociation Constant (pKa)

22.77

Base Dissociation Constant (pKb)

12.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.40

V012-9699 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V012-9699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-9699?
Check Price and Availability of V012-9699, 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 V012-9699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-9699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-9699
  • 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 V012-9699 available by request