C695-0047 Screening compound: 6-({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-2-phenyl-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C695-0047 Screening compound: 6-({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-2-phenyl-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
C695-0047 Screening compound: 6-({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-2-phenyl-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C695-0047
6-({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-2-phenyl-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-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

C695-0047

Molecular Formula

C24H15ClN6O2 (C24 H15 ClN6 O2)

Compound Name

6-({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-2-phenyl-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

IUPAC name

6-({7-chloro-4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)-2-phenyl-5H6H-[124]triazolo[15-c]quinazolin-5-one

SMILES

O=C1N(C=C(C=C2)Cl)C2=NC(CN(c(cccc2)c2-c2nc(-c3ccccc3)nn22)C2=O)=C1

InChI

InChI=1S/C24H15ClN6O2/c25-16-10-11-20-26-17(12-21(32)30(20)13-16)14-29-19-9-5-4-8-18(19)23-27-22(28-31(23)24(29)33)15-6-2-1-3-7-15/h1-13H,14H2

InChI Key

VGKXIRIQMOSUAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.216

Distribution Coefficient, logD

3.216

Water Solubility, LogSw

-3.96

Polar Surface Area

65.601

Acid Dissociation Constant (pKa)

24.10

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

C695-0047 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

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

PI3K-Targeted Library (17255 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C695-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C695-0047?
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What is the minimum amount of C695-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C695-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C695-0047
  • 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 C695-0047 available by request