V020-6842 Screening compound: 2,6-dimethyl-4-[3-(pyridin-2-yl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carbonyl]morpholine

V020-6842 Screening compound: 2,6-dimethyl-4-[3-(pyridin-2-yl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carbonyl]morpholine
V020-6842 Screening compound: 2,6-dimethyl-4-[3-(pyridin-2-yl)-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 V020-6842
2,6-dimethyl-4-[3-(pyridin-2-yl)-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

V020-6842

Molecular Formula

C25H29F3N4O2 (C25 H29 F3 N4 O2)

Compound Name

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

IUPAC name

26-dimethyl-4-[3-(pyridin-2-yl)-8-(trifluoromethyl)-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carbonyl]morpholine

SMILES

CC(C1)OC(C)CN1C(C(C1)C(CN(CC2)c3ncccc3)N2c2c1cc(C(F)(F)F)cc2)=O

InChI

InChI=1S/C25H29F3N4O2/c1-16-13-31(14-17(2)34-16)24(33)20-12-18-11-19(25(26,27)28)6-7-21(18)32-10-9-30(15-22(20)32)23-5-3-4-8-29-23/h3-8,11,16-17,20,22H,9-10,12-15H2,1-2H3

InChI Key

YSRJJJNVGXXQNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19853268

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

474.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.811

Distribution Coefficient, logD

3.810

Water Solubility, LogSw

-4.03

Polar Surface Area

37.895

Acid Dissociation Constant (pKa)

21.93

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

52.00

V020-6842 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Bromodomain Modulators Library (5801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V020-6842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-6842?
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What is the minimum amount of V020-6842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-6842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-6842
  • 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 V020-6842 available by request