V017-4486 Screening compound: 3-cyclopentyl-N-[2-(pyridin-2-yl)ethyl]-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V017-4486 Screening compound: 3-cyclopentyl-N-[2-(pyridin-2-yl)ethyl]-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V017-4486 Screening compound: 3-cyclopentyl-N-[2-(pyridin-2-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 V017-4486
3-cyclopentyl-N-[2-(pyridin-2-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

V017-4486

Molecular Formula

C26H31F3N4O (C26 H31 F3 N4 O)

Compound Name

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

IUPAC name

3-cyclopentyl-N-[2-(pyridin-2-yl)ethyl]-8-(trifluoromethyl)-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

O=C(C(C1)C(CN(CC2)C3CCCC3)N2c2c1cc(C(F)(F)F)cc2)NCCc1ncccc1

InChI

InChI=1S/C26H31F3N4O/c27-26(28,29)19-8-9-23-18(15-19)16-22(25(34)31-12-10-20-5-3-4-11-30-20)24-17-32(13-14-33(23)24)21-6-1-2-7-21/h3-5,8-9,11,15,21-22,24H,1-2,6-7,10,12-14,16-17H2,(H,31,34)

InChI Key

ZCKXFIHMXDKWNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19848188

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

472.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.857

Distribution Coefficient, logD

1.621

Water Solubility, LogSw

-4.09

Polar Surface Area

39.800

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

9.63

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.85

V017-4486 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 V017-4486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-4486?
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What is the minimum amount of V017-4486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-4486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-4486
  • 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 V017-4486 available by request