P505-2091 Screening compound: 4-oxo-1-phenyl-N-[(thiophen-2-yl)methyl]-1,4-dihydrocinnoline-3-carboxamide

P505-2091 Screening compound: 4-oxo-1-phenyl-N-[(thiophen-2-yl)methyl]-1,4-dihydrocinnoline-3-carboxamide
P505-2091 Screening compound: 4-oxo-1-phenyl-N-[(thiophen-2-yl)methyl]-1,4-dihydrocinnoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P505-2091
4-oxo-1-phenyl-N-[(thiophen-2-yl)methyl]-1,4-dihydrocinnoline-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

P505-2091

Molecular Formula

C20H15N3O2S (C20 H15 N3 O2 S)

Compound Name

4-oxo-1-phenyl-N-[(thiophen-2-yl)methyl]-1,4-dihydrocinnoline-3-carboxamide

IUPAC name

4-oxo-1-phenyl-N-[(thiophen-2-yl)methyl]-14-dihydrocinnoline-3-carboxamide

SMILES

O=C(C1=NN(c2ccccc2)c(cccc2)c2C1=O)NCc1cccs1

InChI

InChI=1S/C20H15N3O2S/c24-19-16-10-4-5-11-17(16)23(14-7-2-1-3-8-14)22-18(19)20(25)21-13-15-9-6-12-26-15/h1-12H,13H2,(H,21,25)

InChI Key

RCXVKOBBGJOSMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27577128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.647

Distribution Coefficient, logD

3.647

Water Solubility, LogSw

-4.14

Polar Surface Area

50.842

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

P505-2091 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P505-2091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P505-2091?
Check Price and Availability of P505-2091, 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 P505-2091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P505-2091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P505-2091
  • 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 P505-2091 available by request