Z601-0442 Screening compound: 1-(4-methylbenzoyl)-N-(propan-2-yl)-1,2,3,6-tetrahydropyridine-4-carboxamide

Z601-0442 Screening compound: 1-(4-methylbenzoyl)-N-(propan-2-yl)-1,2,3,6-tetrahydropyridine-4-carboxamide
Z601-0442 Screening compound: 1-(4-methylbenzoyl)-N-(propan-2-yl)-1,2,3,6-tetrahydropyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Z601-0442
1-(4-methylbenzoyl)-N-(propan-2-yl)-1,2,3,6-tetrahydropyridine-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

Z601-0442

Molecular Formula

C17H22N2O2 (C17 H22 N2 O2)

Compound Name

1-(4-methylbenzoyl)-N-(propan-2-yl)-1,2,3,6-tetrahydropyridine-4-carboxamide

IUPAC name

1-(4-methylbenzoyl)-N-(propan-2-yl)-1236-tetrahydropyridine-4-carboxamide

SMILES

CC(C)NC(C(CC1)=CCN1C(c1ccc(C)cc1)=O)=O

InChI

InChI=1S/C17H22N2O2/c1-12(2)18-16(20)14-8-10-19(11-9-14)17(21)15-6-4-13(3)5-7-15/h4-8,12H,9-11H2,1-3H3,(H,18,20)

InChI Key

NBODGSFVTYRFPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27639025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.244

Distribution Coefficient, logD

2.242

Water Solubility, LogSw

-2.64

Polar Surface Area

40.546

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

Z601-0442 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS BBB Library (22607 compounds)

Fragments Library (11262 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with Z601-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z601-0442?
Check Price and Availability of Z601-0442, 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 Z601-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z601-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z601-0442
  • 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 Z601-0442 available by request