L631-0198 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-1-[(5-isobutyryl-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbonyl]-4-piperidinecarboxamide
Chemical Structure Depiction of ChemDiv screening compound L631-0198
N-(1,3-benzodioxol-5-ylmethyl)-1-[(5-isobutyryl-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbonyl]-4-piperidinecarboxamide
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
L631-0198
Molecular Formula
C26H33N5O5 (C26 H33 N5 O5)
Compound Name
N-(1,3-benzodioxol-5-ylmethyl)-1-[(5-isobutyryl-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbonyl]-4-piperidinecarboxamide
IUPAC name
N-[(2H-13-benzodioxol-5-yl)methyl]-1-[1-methyl-5-(2-methylpropanoyl)-1H4H5H6H7H-pyrazolo[43-c]pyridine-3-carbonyl]piperidine-4-carboxamide
SMILES
CC(C)C(N(CC1)Cc2c1n(C)nc2C(N(CC1)CCC1C(NCc(cc1)cc2c1OCO2)=O)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
495.58
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
0.945
Distribution Coefficient, logD
0.945
Water Solubility, LogSw
-2.18
Polar Surface Area
90.015
Acid Dissociation Constant (pKa)
14.07
Base Dissociation Constant (pKb)
10.87
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
53.85
L631-0198 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Cysteine Proteases Inhibitors Library (7839 compounds)
Hsp90-Targeted Library (11355 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
Included in 1.7M Stock Database
- 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
- Hemic and lymphatic
- Cardiovascular
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- Proteases
- Kinases
- GPCR
- Receptor's ligands
References: we are preparing a list of scientific research reports with L631-0198 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of L631-0198, 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)