V016-8239 Screening compound: 3-[(4-fluorophenyl)methyl]-N-[2-(morpholin-4-yl)ethyl]-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V016-8239 Screening compound: 3-[(4-fluorophenyl)methyl]-N-[2-(morpholin-4-yl)ethyl]-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V016-8239 Screening compound: 3-[(4-fluorophenyl)methyl]-N-[2-(morpholin-4-yl)ethyl]-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 V016-8239
3-[(4-fluorophenyl)methyl]-N-[2-(morpholin-4-yl)ethyl]-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

V016-8239

Molecular Formula

C27H32F4N4O2 (C27 H32 F4 N4 O2)

Compound Name

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

IUPAC name

3-[(4-fluorophenyl)methyl]-N-[2-(morpholin-4-yl)ethyl]-8-(trifluoromethyl)-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

O=C(C(C1)C(CN(Cc(cc2)ccc2F)CC2)N2c2c1cc(C(F)(F)F)cc2)NCCN1CCOCC1

InChI

InChI=1S/C27H32F4N4O2/c28-22-4-1-19(2-5-22)17-34-9-10-35-24-6-3-21(27(29,30)31)15-20(24)16-23(25(35)18-34)26(36)32-7-8-33-11-13-37-14-12-33/h1-6,15,23,25H,7-14,16-18H2,(H,32,36)

InChI Key

GYQUMYNVKBJEGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19853346

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

520.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.161

Distribution Coefficient, logD

2.554

Water Solubility, LogSw

-3.17

Polar Surface Area

42.229

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

7.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

51.90

V016-8239 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bromodomain Modulators Library (5801 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V016-8239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8239?
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What is the minimum amount of V016-8239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8239
  • 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 V016-8239 available by request