V008-7847 Screening compound: 3-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-9-(2-oxo-2-phenylethoxy)-4H-pyrido[1,2-a]pyrimidin-4-one

V008-7847 Screening compound: 3-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-9-(2-oxo-2-phenylethoxy)-4H-pyrido[1,2-a]pyrimidin-4-one
V008-7847 Screening compound: 3-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-9-(2-oxo-2-phenylethoxy)-4H-pyrido[1,2-a]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-7847
3-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-9-(2-oxo-2-phenylethoxy)-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

V008-7847

Molecular Formula

C29H26N4O3 (C29 H26 N4 O3)

Compound Name

3-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-9-(2-oxo-2-phenylethoxy)-4H-pyrido[1,2-a]pyrimidin-4-one

IUPAC name

3-[1-(25-dimethylphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-9-(2-oxo-2-phenylethoxy)-4H-pyrido[12-a]pyrimidin-4-one

SMILES

Cc1cc(C2=C(C)N=C(C(OCC(c3ccccc3)=O)=CC=C3)N3C2=O)nn1-c1c(C)ccc(C)c1

InChI

InChI=1S/C29H26N4O3/c1-18-12-13-19(2)24(15-18)33-20(3)16-23(31-33)27-21(4)30-28-26(11-8-14-32(28)29(27)35)36-17-25(34)22-9-6-5-7-10-22/h5-16H,17H2,1-4H3

InChI Key

AUHMQYIPQVQJNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19858027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.392

Distribution Coefficient, logD

4.392

Water Solubility, LogSw

-4.42

Polar Surface Area

57.815

Acid Dissociation Constant (pKa)

24.80

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.20

V008-7847 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V008-7847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-7847?
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What is the minimum amount of V008-7847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-7847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-7847
  • 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 V008-7847 available by request