Z601-0458 Screening compound: (3-METHYLPHENYL)[4-(1-PYRROLIDINYLCARBONYL)-3,6-DIHYDRO-1(2H)-PYRIDINYL]METHANONE

Z601-0458 Screening compound: (3-METHYLPHENYL)[4-(1-PYRROLIDINYLCARBONYL)-3,6-DIHYDRO-1(2H)-PYRIDINYL]METHANONE
Z601-0458 Screening compound: (3-METHYLPHENYL)[4-(1-PYRROLIDINYLCARBONYL)-3,6-DIHYDRO-1(2H)-PYRIDINYL]METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound Z601-0458
(3-METHYLPHENYL)[4-(1-PYRROLIDINYLCARBONYL)-3,6-DIHYDRO-1(2H)-PYRIDINYL]METHANONE

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

Z601-0458

Molecular Formula

C18H22N2O2 (C18 H22 N2 O2)

Compound Name

(3-METHYLPHENYL)[4-(1-PYRROLIDINYLCARBONYL)-3,6-DIHYDRO-1(2H)-PYRIDINYL]METHANONE

IUPAC name

n/a

SMILES

Cc1cccc(C(N(CC2)CC=C2C(N2CCCC2)=O)=O)c1

InChI

InChI=1S/C18H22N2O2/c1-14-5-4-6-16(13-14)18(22)20-11-7-15(8-12-20)17(21)19-9-2-3-10-19/h4-7,13H,2-3,8-12H2,1H3

InChI Key

VWVCYVKPVXJGBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27639033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.290

Distribution Coefficient, logD

2.290

Water Solubility, LogSw

-2.46

Polar Surface Area

33.901

Acid Dissociation Constant (pKa)

27.85

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

Z601-0458 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with Z601-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z601-0458?
Check Price and Availability of Z601-0458, 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 Z601-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z601-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z601-0458
  • 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 Z601-0458 available by request