T579-1586 Screening compound: 1-methyl-5-{[4-(2-phenylacetyl)piperazino]methyl}-2(1H)-pyridinone

T579-1586 Screening compound: 1-methyl-5-{[4-(2-phenylacetyl)piperazino]methyl}-2(1H)-pyridinone
T579-1586 Screening compound: 1-methyl-5-{[4-(2-phenylacetyl)piperazino]methyl}-2(1H)-pyridinone alternative view

Chemical Structure Depiction of ChemDiv screening compound T579-1586
1-methyl-5-{[4-(2-phenylacetyl)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

T579-1586

Molecular Formula

C19H23N3O2 (C19 H23 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(C=C(CN(CC1)CCN1C(Cc1ccccc1)=O)C=C1)C1=O

InChI

InChI=1S/C19H23N3O2/c1-20-14-17(7-8-18(20)23)15-21-9-11-22(12-10-21)19(24)13-16-5-3-2-4-6-16/h2-8,14H,9-13,15H2,1H3

InChI Key

CSRATSVOQASUHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.496

Distribution Coefficient, logD

0.482

Water Solubility, LogSw

-1.29

Polar Surface Area

36.398

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.84

T579-1586 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T579-1586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T579-1586?
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What is the minimum amount of T579-1586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T579-1586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T579-1586
  • 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 T579-1586 available by request