V028-8589 Screening compound: 4-[3-(3-chlorophenyl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carbonyl]morpholine

V028-8589 Screening compound: 4-[3-(3-chlorophenyl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carbonyl]morpholine
V028-8589 Screening compound: 4-[3-(3-chlorophenyl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carbonyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-8589
4-[3-(3-chlorophenyl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carbonyl]morpholine

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

V028-8589

Molecular Formula

C24H25ClF3N3O2 (C24 H25 ClF3 N3 O2)

Compound Name

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

IUPAC name

4-[3-(3-chlorophenyl)-8-(trifluoromethyl)-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carbonyl]morpholine

SMILES

O=C(C(C1)C(CN(CC2)c3cccc(Cl)c3)N2c2c1cc(C(F)(F)F)cc2)N1CCOCC1

InChI

InChI=1S/C24H25ClF3N3O2/c25-18-2-1-3-19(14-18)30-6-7-31-21-5-4-17(24(26,27)28)12-16(21)13-20(22(31)15-30)23(32)29-8-10-33-11-9-29/h1-5,12,14,20,22H,6-11,13,15H2

InChI Key

WTRWRNXOKSTNMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19848408

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

479.93

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.449

Distribution Coefficient, logD

4.449

Water Solubility, LogSw

-4.67

Polar Surface Area

30.360

Acid Dissociation Constant (pKa)

21.54

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.80

V028-8589 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-8589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-8589?
Check Price and Availability of V028-8589, 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 V028-8589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-8589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-8589
  • 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 V028-8589 available by request