L886-0176 Screening compound: N,N-dimethyl-3-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}aniline
Chemical Structure Depiction of ChemDiv screening compound L886-0176
N,N-dimethyl-3-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}aniline
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
L886-0176
Molecular Formula
C20H25N7OS (C20 H25 N7 OS)
Compound Name
N,N-dimethyl-3-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}aniline
IUPAC name
NN-dimethyl-3-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-124-triazol-3-yl]-1H4H5H6H7H-pyrazolo[43-c]pyridine-5-carbonyl}aniline
SMILES
CN(C)c1cccc(C(N(CC2)Cc3c2n(C)nc3-c(n2C)nnc2SC)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
411.53
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
1.360
Distribution Coefficient, logD
1.348
Water Solubility, LogSw
-2.33
Polar Surface Area
59.455
Acid Dissociation Constant (pKa)
21.25
Base Dissociation Constant (pKb)
5.85
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
40.00
L886-0176 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Anti-Inflammatory Library (24602 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)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- 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
- Cyclic compounds
References: we are preparing a list of scientific research reports with L886-0176 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of L886-0176, 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.
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)