L442-0504 Screening compound: N-cyclohexyl-1-[4-(4-methylbenzamido)benzoyl]piperidine-4-carboxamide

L442-0504 Screening compound: N-cyclohexyl-1-[4-(4-methylbenzamido)benzoyl]piperidine-4-carboxamide
L442-0504 Screening compound: N-cyclohexyl-1-[4-(4-methylbenzamido)benzoyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L442-0504
N-cyclohexyl-1-[4-(4-methylbenzamido)benzoyl]piperidine-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

L442-0504

Molecular Formula

C27H33N3O3 (C27 H33 N3 O3)

Compound Name

N-cyclohexyl-1-[4-(4-methylbenzamido)benzoyl]piperidine-4-carboxamide

IUPAC name

N-cyclohexyl-1-[4-(4-methylbenzamido)benzoyl]piperidine-4-carboxamide

SMILES

Cc(cc1)ccc1C(Nc(cc1)ccc1C(N(CC1)CCC1C(NC1CCCCC1)=O)=O)=O

InChI

InChI=1S/C27H33N3O3/c1-19-7-9-20(10-8-19)25(31)29-24-13-11-22(12-14-24)27(33)30-17-15-21(16-18-30)26(32)28-23-5-3-2-4-6-23/h7-14,21,23H,2-6,15-18H2,1H3,(H,28,32)(H,29,31)

InChI Key

VTKRLSMTBHUHPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15127625

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.811

Distribution Coefficient, logD

3.798

Water Solubility, LogSw

-3.84

Polar Surface Area

64.117

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

L442-0504 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with L442-0504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L442-0504?
Check Price and Availability of L442-0504, 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 L442-0504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L442-0504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L442-0504
  • 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 L442-0504 available by request