S651-0544 Screening compound: 8-(1H-indazole-3-carbonyl)-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane
Chemical Structure Depiction of ChemDiv screening compound S651-0544
8-(1H-indazole-3-carbonyl)-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane
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
S651-0544
Molecular Formula
C22H29N5O3 (C22 H29 N5 O3)
Compound Name
8-(1H-indazole-3-carbonyl)-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane
IUPAC name
8-(1H-indazole-3-carbonyl)-2-methyl-3-(morpholine-4-carbonyl)-28-diazaspiro[4.5]decane
SMILES
CN(CC(C1)(CC2)CCN2C(c2n[nH]c3c2cccc3)=O)C1C(N1CCOCC1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
411.5
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
0.497
Distribution Coefficient, logD
0.154
Water Solubility, LogSw
-2.09
Polar Surface Area
68.297
Acid Dissociation Constant (pKa)
14.84
Base Dissociation Constant (pKb)
7.48
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
59.10
S651-0544 in Drug Discovery
Included in Screening Libraries
Angiogenesis library (14822 compounds)
Anti-Inflammatory Library (24602 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
GPCR Targeted Library (31838 compounds)
KRAS-Targeted Library (16000 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Cancer
- Immune system
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- GPCR
- Kinases
- Kinases
- Receptor's ligands
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
- Mimetics
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with S651-0544 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)