P327-0161 Screening compound: 2,5-dimethyl-3-[4-(propan-2-yl)piperazine-1-carbonyl]-4H,5H-thieno[3,2-c]pyridin-4-one

P327-0161 Screening compound: 2,5-dimethyl-3-[4-(propan-2-yl)piperazine-1-carbonyl]-4H,5H-thieno[3,2-c]pyridin-4-one
P327-0161 Screening compound: 2,5-dimethyl-3-[4-(propan-2-yl)piperazine-1-carbonyl]-4H,5H-thieno[3,2-c]pyridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P327-0161
2,5-dimethyl-3-[4-(propan-2-yl)piperazine-1-carbonyl]-4H,5H-thieno[3,2-c]pyridin-4-one

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

P327-0161

Molecular Formula

C17H23N3O2S (C17 H23 N3 O2 S)

Compound Name

2,5-dimethyl-3-[4-(propan-2-yl)piperazine-1-carbonyl]-4H,5H-thieno[3,2-c]pyridin-4-one

IUPAC name

25-dimethyl-3-[4-(propan-2-yl)piperazine-1-carbonyl]-4H5H-thieno[32-c]pyridin-4-one

SMILES

CC(C)N(CC1)CCN1C(c1c(C)sc(C=CN2C)c1C2=O)=O

InChI

InChI=1S/C17H23N3O2S/c1-11(2)19-7-9-20(10-8-19)17(22)14-12(3)23-13-5-6-18(4)16(21)15(13)14/h5-6,11H,7-10H2,1-4H3

InChI Key

KKCFHSIFKFXJDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29020931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.153

Distribution Coefficient, logD

0.820

Water Solubility, LogSw

-1.57

Polar Surface Area

37.199

Acid Dissociation Constant (pKa)

28.10

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

P327-0161 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P327-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P327-0161?
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What is the minimum amount of P327-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P327-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P327-0161
  • 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 P327-0161 available by request