L776-0616 Screening compound: 4-ethoxyphenyl (1-methyl-3-{[(4-methylbenzyl)oxy]methyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl) sulfone

L776-0616 Screening compound: 4-ethoxyphenyl (1-methyl-3-{[(4-methylbenzyl)oxy]methyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl) sulfone
L776-0616 Screening compound: 4-ethoxyphenyl (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 L776-0616
4-ethoxyphenyl (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

L776-0616

Molecular Formula

C24H29N3O4S (C24 H29 N3 O4 S)

Compound Name

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

SMILES

CCOc(cc1)ccc1S(N(CC1)Cc2c1n(C)nc2COCc1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C24H29N3O4S/c1-4-31-20-9-11-21(12-10-20)32(28,29)27-14-13-24-22(15-27)23(25-26(24)3)17-30-16-19-7-5-18(2)6-8-19/h5-12H,4,13-17H2,1-3H3

InChI Key

RAIQZTFHNYPTIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27474531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.686

Distribution Coefficient, logD

3.686

Water Solubility, LogSw

-3.78

Polar Surface Area

62.411

Acid Dissociation Constant (pKa)

22.23

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

L776-0616 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 L776-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L776-0616?
Check Price and Availability of L776-0616, 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 L776-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L776-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L776-0616
  • 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 L776-0616 available by request