V017-8676 Screening compound: 4-[({3-[1-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)methyl]benzonitrile

V017-8676 Screening compound: 4-[({3-[1-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)methyl]benzonitrile
V017-8676 Screening compound: 4-[({3-[1-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)methyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-8676
4-[({3-[1-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)methyl]benzonitrile

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

V017-8676

Molecular Formula

C28H23N5O3 (C28 H23 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(C2=C(C)N=C(C(OCc(cc3)ccc3C#N)=CC=C3)N3C2=O)nn1-c(cccc1)c1OC

InChI

InChI=1S/C28H23N5O3/c1-18-15-22(31-33(18)23-7-4-5-8-24(23)35-3)26-19(2)30-27-25(9-6-14-32(27)28(26)34)36-17-21-12-10-20(16-29)11-13-21/h4-15H,17H2,1-3H3

InChI Key

OAMVQCQPQZBQTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19855925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.52

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

3.582

Distribution Coefficient, logD

3.578

Water Solubility, LogSw

-3.78

Polar Surface Area

69.254

Acid Dissociation Constant (pKa)

27.08

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

V017-8676 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V017-8676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-8676?
Check Price and Availability of V017-8676, 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 V017-8676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-8676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-8676
  • 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 V017-8676 available by request