L442-0417 Screening compound: N-(cyclohexylmethyl)-1-[4-(4-methylbenzamido)benzoyl]piperidine-4-carboxamide

L442-0417 Screening compound: N-(cyclohexylmethyl)-1-[4-(4-methylbenzamido)benzoyl]piperidine-4-carboxamide
L442-0417 Screening compound: N-(cyclohexylmethyl)-1-[4-(4-methylbenzamido)benzoyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L442-0417
N-(cyclohexylmethyl)-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

L442-0417

Molecular Formula

C28H35N3O3 (C28 H35 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(Nc(cc1)ccc1C(N(CC1)CCC1C(NCC1CCCCC1)=O)=O)=O

InChI

InChI=1S/C28H35N3O3/c1-20-7-9-22(10-8-20)27(33)30-25-13-11-24(12-14-25)28(34)31-17-15-23(16-18-31)26(32)29-19-21-5-3-2-4-6-21/h7-14,21,23H,2-6,15-19H2,1H3,(H,29,32)(H,30,33)

InChI Key

IBEMYRBGDDJYKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15127600

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

461.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.371

Distribution Coefficient, logD

4.358

Water Solubility, LogSw

-4.18

Polar Surface Area

64.583

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.40

L442-0417 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with L442-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L442-0417?
Check Price and Availability of L442-0417, 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 L442-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L442-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L442-0417
  • 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 L442-0417 available by request