V012-7372 Screening compound: N-benzyl-3-(furan-2-carbonyl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V012-7372 Screening compound: N-benzyl-3-(furan-2-carbonyl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V012-7372 Screening compound: N-benzyl-3-(furan-2-carbonyl)-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 V012-7372
N-benzyl-3-(furan-2-carbonyl)-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

V012-7372

Molecular Formula

C26H24F3N3O3 (C26 H24 F3 N3 O3)

Compound Name

N-benzyl-3-(furan-2-carbonyl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

IUPAC name

N-benzyl-3-(furan-2-carbonyl)-8-(trifluoromethyl)-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

O=C(C(C1)C(CN(CC2)C(c3ccco3)=O)N2c2c1cc(C(F)(F)F)cc2)NCc1ccccc1

InChI

InChI=1S/C26H24F3N3O3/c27-26(28,29)19-8-9-21-18(13-19)14-20(24(33)30-15-17-5-2-1-3-6-17)22-16-31(10-11-32(21)22)25(34)23-7-4-12-35-23/h1-9,12-13,20,22H,10-11,14-16H2,(H,30,33)

InChI Key

JIWHAULPCSQULY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19848131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.755

Distribution Coefficient, logD

3.755

Water Solubility, LogSw

-4.09

Polar Surface Area

51.991

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.80

V012-7372 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bromodomain Modulators Library (5801 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V012-7372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-7372?
Check Price and Availability of V012-7372, 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 V012-7372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-7372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-7372
  • 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 V012-7372 available by request