V014-8496 Screening compound: 2-[3-phenyl-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carbonyl]-1,2,3,4-tetrahydroisoquinoline

V014-8496 Screening compound: 2-[3-phenyl-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carbonyl]-1,2,3,4-tetrahydroisoquinoline
V014-8496 Screening compound: 2-[3-phenyl-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-8496
2-[3-phenyl-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carbonyl]-1,2,3,4-tetrahydroisoquinoline

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

V014-8496

Molecular Formula

C29H28F3N3O (C29 H28 F3 N3 O)

Compound Name

2-[3-phenyl-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carbonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[3-phenyl-8-(trifluoromethyl)-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carbonyl]-1234-tetrahydroisoquinoline

SMILES

O=C(C(C1)C(CN(CC2)c3ccccc3)N2c2c1cc(C(F)(F)F)cc2)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C29H28F3N3O/c30-29(31,32)23-10-11-26-22(16-23)17-25(28(36)34-13-12-20-6-4-5-7-21(20)18-34)27-19-33(14-15-35(26)27)24-8-2-1-3-9-24/h1-11,16,25,27H,12-15,17-19H2

InChI Key

OOVQCSJUPDPBHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19853305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.56

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.906

Distribution Coefficient, logD

5.905

Water Solubility, LogSw

-5.96

Polar Surface Area

22.114

Acid Dissociation Constant (pKa)

20.69

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.50

V014-8496 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V014-8496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-8496?
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What is the minimum amount of V014-8496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-8496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-8496
  • 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 V014-8496 available by request