L776-0339 Screening compound: 5-(benzylsulfonyl)-3-{[(2-fluorobenzyl)oxy]methyl}-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

L776-0339 Screening compound: 5-(benzylsulfonyl)-3-{[(2-fluorobenzyl)oxy]methyl}-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
L776-0339 Screening compound: 5-(benzylsulfonyl)-3-{[(2-fluorobenzyl)oxy]methyl}-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound L776-0339
5-(benzylsulfonyl)-3-{[(2-fluorobenzyl)oxy]methyl}-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

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

L776-0339

Molecular Formula

C22H24FN3O3S (C22 H24 FN3 O3 S)

Compound Name

5-(benzylsulfonyl)-3-{[(2-fluorobenzyl)oxy]methyl}-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

IUPAC name

3-{[(2-fluorophenyl)methoxy]methyl}-1-methyl-5-phenylmethanesulfonyl-1H4H5H6H7H-pyrazolo[43-c]pyridine

SMILES

Cn1nc(COCc(cccc2)c2F)c(C2)c1CCN2S(Cc1ccccc1)(=O)=O

InChI

InChI=1S/C22H24FN3O3S/c1-25-22-11-12-26(30(27,28)16-17-7-3-2-4-8-17)13-19(22)21(24-25)15-29-14-18-9-5-6-10-20(18)23/h2-10H,11-16H2,1H3

InChI Key

IXQWZGLKQDXZIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27474499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.746

Distribution Coefficient, logD

2.746

Water Solubility, LogSw

-3.03

Polar Surface Area

55.181

Acid Dissociation Constant (pKa)

20.30

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

L776-0339 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Eccentric PPI Library (11937 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • 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
Agro:
  • Agro
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L776-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L776-0339?
Check Price and Availability of L776-0339, 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 L776-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L776-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L776-0339
  • 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 L776-0339 available by request