P327-0331 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-2-methyl-4-oxo-4H,5H-thieno[3,2-c]pyridine-3-carboxamide

P327-0331 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-2-methyl-4-oxo-4H,5H-thieno[3,2-c]pyridine-3-carboxamide
P327-0331 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-2-methyl-4-oxo-4H,5H-thieno[3,2-c]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P327-0331
N-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-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

P327-0331

Molecular Formula

C18H16ClFN2O2S (C18 H16 ClFN2 O2 S)

Compound Name

N-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-2-methyl-4-oxo-4H,5H-thieno[3,2-c]pyridine-3-carboxamide

IUPAC name

N-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-2-methyl-4-oxo-4H5H-thieno[32-c]pyridine-3-carboxamide

SMILES

CCN(C=Cc1c2c(C(NCc(ccc(F)c3)c3Cl)=O)c(C)s1)C2=O

InChI

InChI=1S/C18H16ClFN2O2S/c1-3-22-7-6-14-16(18(22)24)15(10(2)25-14)17(23)21-9-11-4-5-12(20)8-13(11)19/h4-8H,3,9H2,1-2H3,(H,21,23)

InChI Key

ZMGMOKHRXLLDQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29020984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.581

Distribution Coefficient, logD

3.581

Water Solubility, LogSw

-4.34

Polar Surface Area

41.109

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

-5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

P327-0331 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P327-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P327-0331?
Check Price and Availability of P327-0331, 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 P327-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P327-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P327-0331
  • 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 P327-0331 available by request