V014-5927 Screening compound: ethyl 4-[3-(pyrimidin-2-yl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carbonyl]piperazine-1-carboxylate

V014-5927 Screening compound: ethyl 4-[3-(pyrimidin-2-yl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carbonyl]piperazine-1-carboxylate
V014-5927 Screening compound: ethyl 4-[3-(pyrimidin-2-yl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carbonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-5927
ethyl 4-[3-(pyrimidin-2-yl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carbonyl]piperazine-1-carboxylate

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

V014-5927

Molecular Formula

C25H29F3N6O3 (C25 H29 F3 N6 O3)

Compound Name

ethyl 4-[3-(pyrimidin-2-yl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carbonyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[3-(pyrimidin-2-yl)-8-(trifluoromethyl)-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carbonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(C(C1)C(CN(CC2)c3ncccn3)N2c2c1cc(C(F)(F)F)cc2)=O)=O

InChI

InChI=1S/C25H29F3N6O3/c1-2-37-24(36)32-10-8-31(9-11-32)22(35)19-15-17-14-18(25(26,27)28)4-5-20(17)34-13-12-33(16-21(19)34)23-29-6-3-7-30-23/h3-7,14,19,21H,2,8-13,15-16H2,1H3

InChI Key

YKSJJLUDMSVPRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19853253

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

518.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.605

Distribution Coefficient, logD

3.605

Water Solubility, LogSw

-3.76

Polar Surface Area

63.594

Acid Dissociation Constant (pKa)

19.56

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.00

V014-5927 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V014-5927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-5927?
Check Price and Availability of V014-5927, 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 V014-5927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-5927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-5927
  • 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 V014-5927 available by request