V013-2599 Screening compound: 3-methyl-8-nitro-N-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V013-2599 Screening compound: 3-methyl-8-nitro-N-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V013-2599 Screening compound: 3-methyl-8-nitro-N-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-2599
3-methyl-8-nitro-N-{[3-(trifluoromethyl)phenyl]methyl}-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

V013-2599

Molecular Formula

C22H23F3N4O3 (C22 H23 F3 N4 O3)

Compound Name

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

IUPAC name

3-methyl-8-nitro-N-{[3-(trifluoromethyl)phenyl]methyl}-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

CN(CC1)CC(C(C2)C(NCc3cccc(C(F)(F)F)c3)=O)N1c(cc1)c2cc1[N+]([O-])=O

InChI

InChI=1S/C22H23F3N4O3/c1-27-7-8-28-19-6-5-17(29(31)32)10-15(19)11-18(20(28)13-27)21(30)26-12-14-3-2-4-16(9-14)22(23,24)25/h2-6,9-10,18,20H,7-8,11-13H2,1H3,(H,26,30)

InChI Key

CCWPZKCEHRABPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19847725

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

448.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.053

Distribution Coefficient, logD

1.180

Water Solubility, LogSw

-3.38

Polar Surface Area

63.815

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

9.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with V013-2599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-2599?
Check Price and Availability of V013-2599, 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 V013-2599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-2599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-2599
  • 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 V013-2599 available by request