V003-6884 Screening compound: 3-[1-(3-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-9-{[3-(trifluoromethyl)phenyl]methoxy}-4H-pyrido[1,2-a]pyrimidin-4-one

V003-6884 Screening compound: 3-[1-(3-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-9-{[3-(trifluoromethyl)phenyl]methoxy}-4H-pyrido[1,2-a]pyrimidin-4-one
V003-6884 Screening compound: 3-[1-(3-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-9-{[3-(trifluoromethyl)phenyl]methoxy}-4H-pyrido[1,2-a]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-6884
3-[1-(3-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-9-{[3-(trifluoromethyl)phenyl]methoxy}-4H-pyrido[1,2-a]pyrimidin-4-one

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

V003-6884

Molecular Formula

C27H20F4N4O2 (C27 H20 F4 N4 O2)

Compound Name

3-[1-(3-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-9-{[3-(trifluoromethyl)phenyl]methoxy}-4H-pyrido[1,2-a]pyrimidin-4-one

IUPAC name

3-[1-(3-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-9-{[3-(trifluoromethyl)phenyl]methoxy}-4H-pyrido[12-a]pyrimidin-4-one

SMILES

Cc1cc(C2=C(C)N=C(C(OCc3cc(C(F)(F)F)ccc3)=CC=C3)N3C2=O)nn1-c1cccc(F)c1

InChI

InChI=1S/C27H20F4N4O2/c1-16-12-22(33-35(16)21-9-4-8-20(28)14-21)24-17(2)32-25-23(10-5-11-34(25)26(24)36)37-15-18-6-3-7-19(13-18)27(29,30)31/h3-14H,15H2,1-2H3

InChI Key

PAYVWOAALCXNNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19855844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.002

Distribution Coefficient, logD

4.999

Water Solubility, LogSw

-4.97

Polar Surface Area

44.868

Acid Dissociation Constant (pKa)

27.08

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

V003-6884 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V003-6884 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-6884?
Check Price and Availability of V003-6884, 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 V003-6884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-6884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-6884
  • 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 V003-6884 available by request