L776-0068 Screening compound: 4-({3-[(benzyloxy)methyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}sulfonyl)-2,1,3-benzothiadiazole

L776-0068 Screening compound: 4-({3-[(benzyloxy)methyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}sulfonyl)-2,1,3-benzothiadiazole
L776-0068 Screening compound: 4-({3-[(benzyloxy)methyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}sulfonyl)-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L776-0068
4-({3-[(benzyloxy)methyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}sulfonyl)-2,1,3-benzothiadiazole

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

L776-0068

Molecular Formula

C21H21N5O3S2 (C21 H21 N5 O3 S2)

Compound Name

4-({3-[(benzyloxy)methyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}sulfonyl)-2,1,3-benzothiadiazole

IUPAC name

4-({3-[(benzyloxy)methyl]-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-5-yl}sulfonyl)-213-benzothiadiazole

SMILES

Cn1nc(COCc2ccccc2)c(C2)c1CCN2S(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C21H21N5O3S2/c1-25-19-10-11-26(31(27,28)20-9-5-8-17-21(20)24-30-23-17)12-16(19)18(22-25)14-29-13-15-6-3-2-4-7-15/h2-9H,10-14H2,1H3

InChI Key

LIYJRSBLWGMYEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27474466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.56

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

2.813

Distribution Coefficient, logD

2.813

Water Solubility, LogSw

-3.17

Polar Surface Area

76.240

Acid Dissociation Constant (pKa)

22.23

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L776-0068 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Hsp90-Targeted Library (11355 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L776-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L776-0068?
Check Price and Availability of L776-0068, 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 L776-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L776-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L776-0068
  • 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 L776-0068 available by request