L776-0626 Screening compound: 3-chloro-2-methylphenyl (1-methyl-3-{[(4-methylbenzyl)oxy]methyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl) sulfone

L776-0626 Screening compound: 3-chloro-2-methylphenyl (1-methyl-3-{[(4-methylbenzyl)oxy]methyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl) sulfone
L776-0626 Screening compound: 3-chloro-2-methylphenyl (1-methyl-3-{[(4-methylbenzyl)oxy]methyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound L776-0626
3-chloro-2-methylphenyl (1-methyl-3-{[(4-methylbenzyl)oxy]methyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl) sulfone

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

L776-0626

Molecular Formula

C23H26ClN3O3S (C23 H26 ClN3 O3 S)

Compound Name

3-chloro-2-methylphenyl (1-methyl-3-{[(4-methylbenzyl)oxy]methyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl) sulfone

IUPAC name

5-(3-chloro-2-methylbenzenesulfonyl)-1-methyl-3-{[(4-methylphenyl)methoxy]methyl}-1H4H5H6H7H-pyrazolo[43-c]pyridine

SMILES

Cc1ccc(COCc2nn(C)c(CC3)c2CN3S(c2cccc(Cl)c2C)(=O)=O)cc1

InChI

InChI=1S/C23H26ClN3O3S/c1-16-7-9-18(10-8-16)14-30-15-21-19-13-27(12-11-22(19)26(3)25-21)31(28,29)23-6-4-5-20(24)17(23)2/h4-10H,11-15H2,1-3H3

InChI Key

KDJURVYXZRQEIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27474534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.165

Distribution Coefficient, logD

4.165

Water Solubility, LogSw

-4.31

Polar Surface Area

55.287

Acid Dissociation Constant (pKa)

22.23

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

L776-0626 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein Kinases Inhibitors Library (36801 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
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with L776-0626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L776-0626?
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What is the minimum amount of L776-0626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L776-0626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L776-0626
  • 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 L776-0626 available by request