L776-0553 Screening compound: 4-bromophenyl (1-methyl-3-{[(4-methylbenzyl)oxy]methyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl) sulfone

L776-0553 Screening compound: 4-bromophenyl (1-methyl-3-{[(4-methylbenzyl)oxy]methyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl) sulfone
L776-0553 Screening compound: 4-bromophenyl (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 L776-0553
4-bromophenyl (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

L776-0553

Molecular Formula

C22H24BrN3O3S (C22 H24 BrN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(COCc2nn(C)c(CC3)c2CN3S(c(cc2)ccc2Br)(=O)=O)cc1

InChI

InChI=1S/C22H24BrN3O3S/c1-16-3-5-17(6-4-16)14-29-15-21-20-13-26(12-11-22(20)25(2)24-21)30(27,28)19-9-7-18(23)8-10-19/h3-10H,11-15H2,1-2H3

InChI Key

PXWUAQMSRBRRIR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.42

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

4.151

Distribution Coefficient, logD

4.151

Water Solubility, LogSw

-4.21

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

31.82

L776-0553 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 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
  • 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 L776-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L776-0553?
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What is the minimum amount of L776-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L776-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L776-0553
  • 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 L776-0553 available by request