V018-0558 Screening compound: 2-chloro-N-{1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxo-2-(piperidin-1-yl)ethyl}benzamide

V018-0558 Screening compound: 2-chloro-N-{1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxo-2-(piperidin-1-yl)ethyl}benzamide
V018-0558 Screening compound: 2-chloro-N-{1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxo-2-(piperidin-1-yl)ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-0558
2-chloro-N-{1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxo-2-(piperidin-1-yl)ethyl}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

V018-0558

Molecular Formula

C27H32ClN3O3 (C27 H32 ClN3 O3)

Compound Name

2-chloro-N-{1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxo-2-(piperidin-1-yl)ethyl}benzamide

IUPAC name

2-chloro-N-{1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxo-2-(piperidin-1-yl)ethyl}benzamide

SMILES

Cc(cccc1)c1C(N(CC1)CCC1C(C(N1CCCCC1)=O)NC(c(cccc1)c1Cl)=O)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.230

Distribution Coefficient, logD

4.229

Water Solubility, LogSw

-4.45

Polar Surface Area

57.300

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

V018-0558 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V018-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-0558?
Check Price and Availability of V018-0558, 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 V018-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-0558
  • 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 V018-0558 available by request