V003-6778 Screening compound: 3-phenyl-N-[(pyridin-4-yl)methyl]-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V003-6778 Screening compound: 3-phenyl-N-[(pyridin-4-yl)methyl]-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V003-6778 Screening compound: 3-phenyl-N-[(pyridin-4-yl)methyl]-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-6778
3-phenyl-N-[(pyridin-4-yl)methyl]-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-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

V003-6778

Molecular Formula

C26H25F3N4O (C26 H25 F3 N4 O)

Compound Name

3-phenyl-N-[(pyridin-4-yl)methyl]-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

IUPAC name

3-phenyl-N-[(pyridin-4-yl)methyl]-8-(trifluoromethyl)-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

O=C(C(C1)C(CN(CC2)c3ccccc3)N2c2c1cc(C(F)(F)F)cc2)NCc1ccncc1

InChI

InChI=1S/C26H25F3N4O/c27-26(28,29)20-6-7-23-19(14-20)15-22(25(34)31-16-18-8-10-30-11-9-18)24-17-32(12-13-33(23)24)21-4-2-1-3-5-21/h1-11,14,22,24H,12-13,15-17H2,(H,31,34)

InChI Key

VJPAYKLGVBEAKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19848113

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

466.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.811

Distribution Coefficient, logD

3.807

Water Solubility, LogSw

-4.02

Polar Surface Area

39.645

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with V003-6778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-6778?
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What is the minimum amount of V003-6778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-6778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-6778
  • 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 V003-6778 available by request