L853-0218 Screening compound: 3-cyclopropyl-5-[5-(4-ethylbenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole

L853-0218 Screening compound: 3-cyclopropyl-5-[5-(4-ethylbenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole
L853-0218 Screening compound: 3-cyclopropyl-5-[5-(4-ethylbenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L853-0218
3-cyclopropyl-5-[5-(4-ethylbenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-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

L853-0218

Molecular Formula

C20H23N5O3S (C20 H23 N5 O3 S)

Compound Name

3-cyclopropyl-5-[5-(4-ethylbenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole

IUPAC name

3-cyclopropyl-5-[5-(4-ethylbenzenesulfonyl)-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]-124-oxadiazole

SMILES

CCc(cc1)ccc1S(N(CC1)Cc2c1n(C)nc2-c1nc(C2CC2)no1)(=O)=O

InChI

InChI=1S/C20H23N5O3S/c1-3-13-4-8-15(9-5-13)29(26,27)25-11-10-17-16(12-25)18(22-24(17)2)20-21-19(23-28-20)14-6-7-14/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3

InChI Key

LSSFBJFDVULQHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27480588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.390

Distribution Coefficient, logD

3.390

Water Solubility, LogSw

-3.71

Polar Surface Area

78.558

Acid Dissociation Constant (pKa)

21.52

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

L853-0218 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Hsp90-Targeted Library (11355 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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
Targets:
  • Proteases
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L853-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L853-0218?
Check Price and Availability of L853-0218, 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 L853-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L853-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L853-0218
  • 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 L853-0218 available by request