V017-1040 Screening compound: 3-(2-cyanophenyl)-N-(cyclopropylmethyl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V017-1040 Screening compound: 3-(2-cyanophenyl)-N-(cyclopropylmethyl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V017-1040 Screening compound: 3-(2-cyanophenyl)-N-(cyclopropylmethyl)-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 V017-1040
3-(2-cyanophenyl)-N-(cyclopropylmethyl)-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

V017-1040

Molecular Formula

C25H25F3N4O (C25 H25 F3 N4 O)

Compound Name

3-(2-cyanophenyl)-N-(cyclopropylmethyl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

IUPAC name

3-(2-cyanophenyl)-N-(cyclopropylmethyl)-8-(trifluoromethyl)-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

N#Cc(cccc1)c1N(CC1)CC(C(C2)C(NCC3CC3)=O)N1c1c2cc(C(F)(F)F)cc1

InChI

InChI=1S/C25H25F3N4O/c26-25(27,28)19-7-8-22-18(11-19)12-20(24(33)30-14-16-5-6-16)23-15-31(9-10-32(22)23)21-4-2-1-3-17(21)13-29/h1-4,7-8,11,16,20,23H,5-6,9-10,12,14-15H2,(H,30,33)

InChI Key

BLZZOEWHHYJHOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19848161

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

454.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.388

Distribution Coefficient, logD

4.388

Water Solubility, LogSw

-4.22

Polar Surface Area

47.495

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

V017-1040 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V017-1040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-1040?
Check Price and Availability of V017-1040, 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 V017-1040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-1040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-1040
  • 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 V017-1040 available by request