L853-0044 Screening compound: 4-{[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl}-2,1,3-benzothiadiazole

L853-0044 Screening compound: 4-{[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl}-2,1,3-benzothiadiazole
L853-0044 Screening compound: 4-{[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl}-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L853-0044
4-{[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl}-2,1,3-benzothiadiazole

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

L853-0044

Molecular Formula

C21H17N7O3S2 (C21 H17 N7 O3 S2)

Compound Name

4-{[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl}-2,1,3-benzothiadiazole

IUPAC name

4-{[1-methyl-3-(3-phenyl-124-oxadiazol-5-yl)-1H4H5H6H7H-pyrazolo[43-c]pyridin-5-yl]sulfonyl}-213-benzothiadiazole

SMILES

Cn(c(CC1)c2CN1S(c1cccc3nsnc13)(=O)=O)nc2-c1nc(-c2ccccc2)no1

InChI

InChI=1S/C21H17N7O3S2/c1-27-16-10-11-28(33(29,30)17-9-5-8-15-19(17)26-32-25-15)12-14(16)18(23-27)21-22-20(24-31-21)13-6-3-2-4-7-13/h2-9H,10-12H2,1H3

InChI Key

HSMVXAHRCKNEAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27480529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.54

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

3.326

Distribution Coefficient, logD

3.326

Water Solubility, LogSw

-3.64

Polar Surface Area

98.987

Acid Dissociation Constant (pKa)

21.52

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

L853-0044 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Cysteine Proteases Inhibitors Library (7839 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:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with L853-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L853-0044?
Check Price and Availability of L853-0044, 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 L853-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L853-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L853-0044
  • 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 L853-0044 available by request