V003-6896 Screening compound: tert-butyl 2-({3-[1-(3-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)acetate

V003-6896 Screening compound: tert-butyl 2-({3-[1-(3-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)acetate
V003-6896 Screening compound: tert-butyl 2-({3-[1-(3-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-6896
tert-butyl 2-({3-[1-(3-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)acetate

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

V003-6896

Molecular Formula

C25H25FN4O4 (C25 H25 FN4 O4)

Compound Name

tert-butyl 2-({3-[1-(3-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)acetate

IUPAC name

tert-butyl 2-({3-[1-(3-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-9-yl}oxy)acetate

SMILES

CC(C)(C)OC(COC(C1=NC(C)=C2c(cc3C)nn3-c3cccc(F)c3)=CC=CN1C2=O)=O

InChI

InChI=1S/C25H25FN4O4/c1-15-12-19(28-30(15)18-9-6-8-17(26)13-18)22-16(2)27-23-20(10-7-11-29(23)24(22)32)33-14-21(31)34-25(3,4)5/h6-13H,14H2,1-5H3

InChI Key

DNYNCZUBZFWIMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19855846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.445

Distribution Coefficient, logD

3.445

Water Solubility, LogSw

-3.64

Polar Surface Area

64.408

Acid Dissociation Constant (pKa)

27.08

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with V003-6896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-6896?
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What is the minimum amount of V003-6896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-6896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-6896
  • 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 V003-6896 available by request