P505-2159 Screening compound: N-(butan-2-yl)-1-(4-fluorophenyl)-4-oxo-1,4-dihydrocinnoline-3-carboxamide

P505-2159 Screening compound: N-(butan-2-yl)-1-(4-fluorophenyl)-4-oxo-1,4-dihydrocinnoline-3-carboxamide
P505-2159 Screening compound: N-(butan-2-yl)-1-(4-fluorophenyl)-4-oxo-1,4-dihydrocinnoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P505-2159
N-(butan-2-yl)-1-(4-fluorophenyl)-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

P505-2159

Molecular Formula

C19H18FN3O2 (C19 H18 FN3 O2)

Compound Name

N-(butan-2-yl)-1-(4-fluorophenyl)-4-oxo-1,4-dihydrocinnoline-3-carboxamide

IUPAC name

N-(butan-2-yl)-1-(4-fluorophenyl)-4-oxo-14-dihydrocinnoline-3-carboxamide

SMILES

CCC(C)NC(C1=NN(c(cc2)ccc2F)c(cccc2)c2C1=O)=O

InChI

InChI=1S/C19H18FN3O2/c1-3-12(2)21-19(25)17-18(24)15-6-4-5-7-16(15)23(22-17)14-10-8-13(20)9-11-14/h4-12H,3H2,1-2H3,(H,21,25)/t12-/m0/s1

InChI Key

KOVAHOAFVJHRRY-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27577134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.37

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

3.289

Distribution Coefficient, logD

3.289

Water Solubility, LogSw

-4.10

Polar Surface Area

49.536

Acid Dissociation Constant (pKa)

14.60

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

P505-2159 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with P505-2159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P505-2159?
Check Price and Availability of P505-2159, 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 P505-2159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P505-2159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P505-2159
  • 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 P505-2159 available by request