L090-3316 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-1-(4-methylphenyl)-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidine-3-carboxamide

L090-3316 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-1-(4-methylphenyl)-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidine-3-carboxamide
L090-3316 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-1-(4-methylphenyl)-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L090-3316
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-1-(4-methylphenyl)-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidine-3-carboxamide

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

L090-3316

Molecular Formula

C22H19N5O4 (C22 H19 N5 O4)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-1-(4-methylphenyl)-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidine-3-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-6-methyl-1-(4-methylphenyl)-7-oxo-1H6H7H-pyrazolo[43-d]pyrimidine-3-carboxamide

SMILES

Cc(cc1)ccc1-n1nc(C(Nc(cc2)cc3c2OCCO3)=O)c(N=CN2C)c1C2=O

InChI

InChI=1S/C22H19N5O4/c1-13-3-6-15(7-4-13)27-20-18(23-12-26(2)22(20)29)19(25-27)21(28)24-14-5-8-16-17(11-14)31-10-9-30-16/h3-8,11-12H,9-10H2,1-2H3,(H,24,28)

InChI Key

POCJHRBWBPWYCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27231908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.351

Distribution Coefficient, logD

1.324

Water Solubility, LogSw

-2.21

Polar Surface Area

77.240

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

L090-3316 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Agro:
  • Agro
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L090-3316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L090-3316?
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What is the minimum amount of L090-3316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L090-3316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L090-3316
  • 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 L090-3316 available by request