P160-0041 Screening compound: 5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H,5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide

P160-0041 Screening compound: 5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H,5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
P160-0041 Screening compound: 5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H,5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P160-0041
5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H,5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-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

P160-0041

Molecular Formula

C28H24FN5O2 (C28 H24 FN5 O2)

Compound Name

5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H,5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide

IUPAC name

5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-[(1R)-1234-tetrahydronaphthalen-1-yl]-4H5H-[124]triazolo[15-a]quinoxaline-2-carboxamide

SMILES

Cc(cc1)cc(N2Cc3cccc(F)c3)c1-n1nc(C(NC(CCC3)c4c3cccc4)=O)nc1C2=O

InChI

InChI=1S/C28H24FN5O2/c1-17-12-13-23-24(14-17)33(16-18-6-4-9-20(29)15-18)28(36)26-31-25(32-34(23)26)27(35)30-22-11-5-8-19-7-2-3-10-21(19)22/h2-4,6-7,9-10,12-15,22H,5,8,11,16H2,1H3,(H,30,35)/t22-/m0/s1

InChI Key

VEDYRFCQFNVPAH-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.198

Distribution Coefficient, logD

5.198

Water Solubility, LogSw

-5.00

Polar Surface Area

62.880

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

-6.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

P160-0041 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 P160-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P160-0041?
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What is the minimum amount of P160-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P160-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P160-0041
  • 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 P160-0041 available by request