8020-0161 Screening compound: 3-(4-chlorophenyl)-2-methyl-7-(4H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6(7H)-one

8020-0161 Screening compound: 3-(4-chlorophenyl)-2-methyl-7-(4H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6(7H)-one
8020-0161 Screening compound: 3-(4-chlorophenyl)-2-methyl-7-(4H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0161
3-(4-chlorophenyl)-2-methyl-7-(4H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6(7H)-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

8020-0161

Molecular Formula

C18H12ClN7O (C18 H12 ClN7 O)

Compound Name

3-(4-chlorophenyl)-2-methyl-7-(4H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6(7H)-one

IUPAC name

5-(4-chlorophenyl)-4-methyl-11-(4H-124-triazol-3-yl)-23711-tetraazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-10-one

SMILES

Cc(c(-c(cc1)ccc1Cl)c1nc2)nn1c(C=CN1c3nnc[nH]3)c2C1=O

InChI

InChI=1S/C18H12ClN7O/c1-10-15(11-2-4-12(19)5-3-11)16-20-8-13-14(26(16)24-10)6-7-25(17(13)27)18-21-9-22-23-18/h2-9H,1H3,(H,21,22,23)

InChI Key

OBFOZWAOWPQSJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11083229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.366

Distribution Coefficient, logD

1.361

Water Solubility, LogSw

-2.95

Polar Surface Area

72.189

Acid Dissociation Constant (pKa)

9.37

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

8020-0161 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8020-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0161?
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What is the minimum amount of 8020-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0161
  • 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 8020-0161 available by request