L852-0545 Screening compound: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-N-(2-methylpropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxamide

L852-0545 Screening compound: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-N-(2-methylpropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxamide
L852-0545 Screening compound: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-N-(2-methylpropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L852-0545
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-N-(2-methylpropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-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

L852-0545

Molecular Formula

C20H23FN6O2 (C20 H23 FN6 O2)

Compound Name

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-N-(2-methylpropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxamide

IUPAC name

3-[3-(4-fluorophenyl)-124-oxadiazol-5-yl]-1-methyl-N-(2-methylpropyl)-1H4H5H6H7H-pyrazolo[43-c]pyridine-5-carboxamide

SMILES

CC(C)CNC(N(CC1)Cc2c1n(C)nc2-c1nc(-c(cc2)ccc2F)no1)=O

InChI

InChI=1S/C20H23FN6O2/c1-12(2)10-22-20(28)27-9-8-16-15(11-27)17(24-26(16)3)19-23-18(25-29-19)13-4-6-14(21)7-5-13/h4-7,12H,8-11H2,1-3H3,(H,22,28)

InChI Key

SZIMBQUDKKEHPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27480492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.918

Distribution Coefficient, logD

2.918

Water Solubility, LogSw

-3.38

Polar Surface Area

73.387

Acid Dissociation Constant (pKa)

17.46

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

L852-0545 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 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
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L852-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L852-0545?
Check Price and Availability of L852-0545, 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 L852-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L852-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L852-0545
  • 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 L852-0545 available by request