P505-2161 Screening compound: 1-(4-fluorophenyl)-N-(3-methylbutyl)-4-oxo-1,4-dihydrocinnoline-3-carboxamide

P505-2161 Screening compound: 1-(4-fluorophenyl)-N-(3-methylbutyl)-4-oxo-1,4-dihydrocinnoline-3-carboxamide
P505-2161 Screening compound: 1-(4-fluorophenyl)-N-(3-methylbutyl)-4-oxo-1,4-dihydrocinnoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P505-2161
1-(4-fluorophenyl)-N-(3-methylbutyl)-4-oxo-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

P505-2161

Molecular Formula

C20H20FN3O2 (C20 H20 FN3 O2)

Compound Name

1-(4-fluorophenyl)-N-(3-methylbutyl)-4-oxo-1,4-dihydrocinnoline-3-carboxamide

IUPAC name

1-(4-fluorophenyl)-N-(3-methylbutyl)-4-oxo-14-dihydrocinnoline-3-carboxamide

SMILES

CC(C)CCNC(C1=NN(c(cc2)ccc2F)c(cccc2)c2C1=O)=O

InChI

InChI=1S/C20H20FN3O2/c1-13(2)11-12-22-20(26)18-19(25)16-5-3-4-6-17(16)24(23-18)15-9-7-14(21)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,22,26)

InChI Key

VTRLODVWFMJYTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27577135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.849

Distribution Coefficient, logD

3.849

Water Solubility, LogSw

-4.08

Polar Surface Area

49.936

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

P505-2161 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with P505-2161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P505-2161?
Check Price and Availability of P505-2161, 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 P505-2161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P505-2161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P505-2161
  • 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 P505-2161 available by request