V004-3602 Screening compound: ethyl 4-({3-[1-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)butanoate

V004-3602 Screening compound: ethyl 4-({3-[1-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)butanoate
V004-3602 Screening compound: ethyl 4-({3-[1-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3602
ethyl 4-({3-[1-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)butanoate

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

V004-3602

Molecular Formula

C25H25ClN4O4 (C25 H25 ClN4 O4)

Compound Name

ethyl 4-({3-[1-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)butanoate

IUPAC name

ethyl 4-({3-[1-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-9-yl}oxy)butanoate

SMILES

CCOC(CCCOC(C1=NC(C)=C2c(cc3C)nn3-c(cc3)ccc3Cl)=CC=CN1C2=O)=O

InChI

InChI=1S/C25H25ClN4O4/c1-4-33-22(31)8-6-14-34-21-7-5-13-29-24(21)27-17(3)23(25(29)32)20-15-16(2)30(28-20)19-11-9-18(26)10-12-19/h5,7,9-13,15H,4,6,8,14H2,1-3H3

InChI Key

BYHNEVAWUDZKDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19858007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.684

Distribution Coefficient, logD

3.684

Water Solubility, LogSw

-3.96

Polar Surface Area

65.217

Acid Dissociation Constant (pKa)

24.07

Base Dissociation Constant (pKb)

4.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with V004-3602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3602?
Check Price and Availability of V004-3602, 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 V004-3602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3602
  • 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 V004-3602 available by request