P327-0302 Screening compound: N-benzyl-N,5-diethyl-2-methyl-4-oxo-4H,5H-thieno[3,2-c]pyridine-3-carboxamide

P327-0302 Screening compound: N-benzyl-N,5-diethyl-2-methyl-4-oxo-4H,5H-thieno[3,2-c]pyridine-3-carboxamide
P327-0302 Screening compound: N-benzyl-N,5-diethyl-2-methyl-4-oxo-4H,5H-thieno[3,2-c]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P327-0302
N-benzyl-N,5-diethyl-2-methyl-4-oxo-4H,5H-thieno[3,2-c]pyridine-3-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

P327-0302

Molecular Formula

C20H22N2O2S (C20 H22 N2 O2 S)

Compound Name

N-benzyl-N,5-diethyl-2-methyl-4-oxo-4H,5H-thieno[3,2-c]pyridine-3-carboxamide

IUPAC name

N-benzyl-N5-diethyl-2-methyl-4-oxo-4H5H-thieno[32-c]pyridine-3-carboxamide

SMILES

CCN(Cc1ccccc1)C(c1c(C)sc(C=CN2CC)c1C2=O)=O

InChI

InChI=1S/C20H22N2O2S/c1-4-21-12-11-16-18(20(21)24)17(14(3)25-16)19(23)22(5-2)13-15-9-7-6-8-10-15/h6-12H,4-5,13H2,1-3H3

InChI Key

PIKXRUDCRTVIMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28120806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.107

Distribution Coefficient, logD

3.107

Water Solubility, LogSw

-3.08

Polar Surface Area

32.632

Acid Dissociation Constant (pKa)

27.53

Base Dissociation Constant (pKb)

-5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

P327-0302 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 P327-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P327-0302?
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What is the minimum amount of P327-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P327-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P327-0302
  • 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 P327-0302 available by request