L871-0058 Screening compound: N-{[1-methyl-5-(thiophene-2-sulfonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]methyl}-N-phenylacetamide
Chemical Structure Depiction of ChemDiv screening compound L871-0058
N-{[1-methyl-5-(thiophene-2-sulfonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]methyl}-N-phenylacetamide
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
L871-0058
Molecular Formula
C20H22N4O3S2 (C20 H22 N4 O3 S2)
Compound Name
N-{[1-methyl-5-(thiophene-2-sulfonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]methyl}-N-phenylacetamide
IUPAC name
N-{[1-methyl-5-(thiophene-2-sulfonyl)-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]methyl}-N-phenylacetamide
SMILES
CC(N(Cc1nn(C)c(CC2)c1CN2S(c1cccs1)(=O)=O)c1ccccc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
430.55
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.875
Distribution Coefficient, logD
1.875
Water Solubility, LogSw
-2.32
Polar Surface Area
64.233
Acid Dissociation Constant (pKa)
22.47
Base Dissociation Constant (pKb)
0.02
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
30.00
L871-0058 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Cysteine Proteases Inhibitors Library (7839 compounds)
Hsp90-Targeted Library (11355 compounds)
KRAS-Targeted Library (16000 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- 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
- Proteases
- Kinases
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with L871-0058 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)