L853-0012 Screening compound: 5-[5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole

L853-0012 Screening compound: 5-[5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole
L853-0012 Screening compound: 5-[5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L853-0012
5-[5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole

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

L853-0012

Molecular Formula

C23H21N5O5S (C23 H21 N5 O5 S)

Compound Name

5-[5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole

IUPAC name

5-[5-(23-dihydro-14-benzodioxine-6-sulfonyl)-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]-3-phenyl-124-oxadiazole

SMILES

Cn(c(CC1)c2CN1S(c(cc1)cc3c1OCCO3)(=O)=O)nc2-c1nc(-c2ccccc2)no1

InChI

InChI=1S/C23H21N5O5S/c1-27-18-9-10-28(34(29,30)16-7-8-19-20(13-16)32-12-11-31-19)14-17(18)21(25-27)23-24-22(26-33-23)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3

InChI Key

UPIBZPKOTSQLEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27480519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.451

Distribution Coefficient, logD

2.451

Water Solubility, LogSw

-2.88

Polar Surface Area

93.858

Acid Dissociation Constant (pKa)

21.52

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

L853-0012 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

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

Cysteine Proteases Inhibitors Library (7839 compounds)

GPCR Targeted Library (31838 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Proteases
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L853-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L853-0012?
Check Price and Availability of L853-0012, 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 L853-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L853-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L853-0012
  • 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 L853-0012 available by request