P111-0185 Screening compound: N-(4-methylbenzyl)-3-[(propionylamino)methyl]tetrahydro-1(2H)-pyridinecarboxamide

P111-0185 Screening compound: N-(4-methylbenzyl)-3-[(propionylamino)methyl]tetrahydro-1(2H)-pyridinecarboxamide
P111-0185 Screening compound: N-(4-methylbenzyl)-3-[(propionylamino)methyl]tetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P111-0185
N-(4-methylbenzyl)-3-[(propionylamino)methyl]tetrahydro-1(2H)-pyridinecarboxamide

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

P111-0185

Molecular Formula

C18H27N3O2 (C18 H27 N3 O2)

Compound Name

N-(4-methylbenzyl)-3-[(propionylamino)methyl]tetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

N-[(4-methylphenyl)methyl]-3-(propanamidomethyl)piperidine-1-carboxamide

SMILES

CCC(NCC(CCC1)CN1C(NCc1ccc(C)cc1)=O)=O

InChI

InChI=1S/C18H27N3O2/c1-3-17(22)19-12-16-5-4-10-21(13-16)18(23)20-11-15-8-6-14(2)7-9-15/h6-9,16H,3-5,10-13H2,1-2H3,(H,19,22)(H,20,23)/t16-/m1/s1

InChI Key

MHCYQNGQIFMSFH-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27565003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.991

Distribution Coefficient, logD

1.991

Water Solubility, LogSw

-2.38

Polar Surface Area

51.435

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

References: we are preparing a list of scientific research reports with P111-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P111-0185?
Check Price and Availability of P111-0185, 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 P111-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P111-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P111-0185
  • 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 P111-0185 available by request