L776-0145 Screening compound: 3-({3-[(benzyloxy)methyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}sulfonyl)benzonitrile

L776-0145 Screening compound: 3-({3-[(benzyloxy)methyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}sulfonyl)benzonitrile
L776-0145 Screening compound: 3-({3-[(benzyloxy)methyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}sulfonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound L776-0145
3-({3-[(benzyloxy)methyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}sulfonyl)benzonitrile

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

L776-0145

Molecular Formula

C22H22N4O3S (C22 H22 N4 O3 S)

Compound Name

3-({3-[(benzyloxy)methyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}sulfonyl)benzonitrile

IUPAC name

3-({3-[(benzyloxy)methyl]-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-5-yl}sulfonyl)benzonitrile

SMILES

Cn1nc(COCc2ccccc2)c(C2)c1CCN2S(c1cc(C#N)ccc1)(=O)=O

InChI

InChI=1S/C22H22N4O3S/c1-25-22-10-11-26(30(27,28)19-9-5-8-18(12-19)13-23)14-20(22)21(24-25)16-29-15-17-6-3-2-4-7-17/h2-9,12H,10-11,14-16H2,1H3

InChI Key

XJOYSXOPQYAOQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.534

Distribution Coefficient, logD

2.534

Water Solubility, LogSw

-2.75

Polar Surface Area

72.343

Acid Dissociation Constant (pKa)

22.23

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L776-0145 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Hsp90-Targeted Library (11355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • 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
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L776-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L776-0145?
Check Price and Availability of L776-0145, 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 L776-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L776-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L776-0145
  • 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 L776-0145 available by request