T579-1852 Screening compound: 1-(cyclopropylmethyl)-5-{[4-(2-pyridylcarbonyl)piperazino]methyl}-2(1H)-pyridinone

T579-1852 Screening compound: 1-(cyclopropylmethyl)-5-{[4-(2-pyridylcarbonyl)piperazino]methyl}-2(1H)-pyridinone
T579-1852 Screening compound: 1-(cyclopropylmethyl)-5-{[4-(2-pyridylcarbonyl)piperazino]methyl}-2(1H)-pyridinone alternative view

Chemical Structure Depiction of ChemDiv screening compound T579-1852
1-(cyclopropylmethyl)-5-{[4-(2-pyridylcarbonyl)piperazino]methyl}-2(1H)-pyridinone

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

T579-1852

Molecular Formula

C20H24N4O2 (C20 H24 N4 O2)

Compound Name

1-(cyclopropylmethyl)-5-{[4-(2-pyridylcarbonyl)piperazino]methyl}-2(1H)-pyridinone

IUPAC name

1-(cyclopropylmethyl)-5-{[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl}-12-dihydropyridin-2-one

SMILES

O=C(c1ncccc1)N1CCN(CC(C=C2)=CN(CC3CC3)C2=O)CC1

InChI

InChI=1S/C20H24N4O2/c25-19-7-6-17(15-24(19)14-16-4-5-16)13-22-9-11-23(12-10-22)20(26)18-3-1-2-8-21-18/h1-3,6-8,15-16H,4-5,9-14H2

InChI Key

YMABZAUKWPWQOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.680

Distribution Coefficient, logD

0.643

Water Solubility, LogSw

-1.24

Polar Surface Area

46.509

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

6.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

T579-1852 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with T579-1852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T579-1852?
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What is the minimum amount of T579-1852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T579-1852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T579-1852
  • 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 T579-1852 available by request