V012-6596 Screening compound: N~1~-[1-[1-(2-fluorobenzoyl)-4-piperidyl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide

V012-6596 Screening compound: N~1~-[1-[1-(2-fluorobenzoyl)-4-piperidyl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide
V012-6596 Screening compound: N~1~-[1-[1-(2-fluorobenzoyl)-4-piperidyl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-6596
N~1~-[1-[1-(2-fluorobenzoyl)-4-piperidyl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide

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

V012-6596

Molecular Formula

C22H32FN3O3 (C22 H32 FN3 O3)

Compound Name

N~1~-[1-[1-(2-fluorobenzoyl)-4-piperidyl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide

IUPAC name

N-{[1-(2-fluorobenzoyl)piperidin-4-yl](propylcarbamoyl)methyl}-3-methylbutanamide

SMILES

CCCNC(C(C(CC1)CCN1C(c(cccc1)c1F)=O)NC(CC(C)C)=O)=O

InChI

InChI=1S/C22H32FN3O3/c1-4-11-24-21(28)20(25-19(27)14-15(2)3)16-9-12-26(13-10-16)22(29)17-7-5-6-8-18(17)23/h5-8,15-16,20H,4,9-14H2,1-3H3,(H,24,28)(H,25,27)/t20-/m0/s1

InChI Key

BPKIEGYJKVCENA-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19887891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.721

Distribution Coefficient, logD

2.721

Water Solubility, LogSw

-3.26

Polar Surface Area

65.237

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

V012-6596 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V012-6596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-6596?
Check Price and Availability of V012-6596, 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 V012-6596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-6596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-6596
  • 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 V012-6596 available by request