L776-0708 Screening compound: 3-{[(2-chloro-4-fluorobenzyl)oxy]methyl}-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl (3,5-dimethyl-4-isoxazolyl) sulfone

L776-0708 Screening compound: 3-{[(2-chloro-4-fluorobenzyl)oxy]methyl}-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl (3,5-dimethyl-4-isoxazolyl) sulfone
L776-0708 Screening compound: 3-{[(2-chloro-4-fluorobenzyl)oxy]methyl}-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl (3,5-dimethyl-4-isoxazolyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound L776-0708
3-{[(2-chloro-4-fluorobenzyl)oxy]methyl}-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl (3,5-dimethyl-4-isoxazolyl) 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

L776-0708

Molecular Formula

C20H22ClFN4O4S (C20 H22 ClFN4 O4 S)

Compound Name

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

IUPAC name

4-[(3-{[(2-chloro-4-fluorophenyl)methoxy]methyl}-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-5-yl)sulfonyl]-35-dimethyl-12-oxazole

SMILES

Cc1noc(C)c1S(N(CC1)Cc2c1n(C)nc2COCc(ccc(F)c1)c1Cl)(=O)=O

InChI

InChI=1S/C20H22ClFN4O4S/c1-12-20(13(2)30-24-12)31(27,28)26-7-6-19-16(9-26)18(23-25(19)3)11-29-10-14-4-5-15(22)8-17(14)21/h4-5,8H,6-7,9-11H2,1-3H3

InChI Key

BKLNFZJBLPIKKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27474555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.94

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.478

Distribution Coefficient, logD

2.478

Water Solubility, LogSw

-3.13

Polar Surface Area

77.325

Acid Dissociation Constant (pKa)

23.02

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

L776-0708 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

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

Cysteine Proteases Inhibitors Library (7839 compounds)

GPCR Targeted Library (31838 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:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Proteases
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L776-0708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L776-0708?
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What is the minimum amount of L776-0708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L776-0708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L776-0708
  • 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 L776-0708 available by request