V009-2045 Screening compound: ethyl 1-[3-(pyrimidin-2-yl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carbonyl]piperidine-4-carboxylate

V009-2045 Screening compound: ethyl 1-[3-(pyrimidin-2-yl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carbonyl]piperidine-4-carboxylate
V009-2045 Screening compound: ethyl 1-[3-(pyrimidin-2-yl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carbonyl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-2045
ethyl 1-[3-(pyrimidin-2-yl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carbonyl]piperidine-4-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

V009-2045

Molecular Formula

C26H30F3N5O3 (C26 H30 F3 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C26H30F3N5O3/c1-2-37-24(36)17-6-10-32(11-7-17)23(35)20-15-18-14-19(26(27,28)29)4-5-21(18)34-13-12-33(16-22(20)34)25-30-8-3-9-31-25/h3-5,8-9,14,17,20,22H,2,6-7,10-13,15-16H2,1H3

InChI Key

YBRPPSLZEBEMDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19853251

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

517.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.980

Distribution Coefficient, logD

3.979

Water Solubility, LogSw

-4.11

Polar Surface Area

61.568

Acid Dissociation Constant (pKa)

19.56

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.80

V009-2045 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

Integrin Receptors Targeted library (1715 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with V009-2045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-2045?
Check Price and Availability of V009-2045, 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 V009-2045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-2045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-2045
  • 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 V009-2045 available by request