S635-0402 Screening compound: 4-[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]benzonitrile
Chemical Structure Depiction of ChemDiv screening compound S635-0402
4-[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]benzonitrile
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
S635-0402
Molecular Formula
C24H27N3O2 (C24 H27 N3 O2)
Compound Name
4-[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]benzonitrile
IUPAC name
4-[2-benzyl-4-(hydroxymethyl)-28-diazaspiro[4.5]decane-8-carbonyl]benzonitrile
SMILES
N#Cc(cc1)ccc1C(N(CC1)CCC11C(CO)CN(Cc2ccccc2)C1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
389.5
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.063
Distribution Coefficient, logD
-1.283
Water Solubility, LogSw
-2.20
Polar Surface Area
54.752
Acid Dissociation Constant (pKa)
15.87
Base Dissociation Constant (pKb)
10.75
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
41.70
S635-0402 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
CNS BBB Library (22607 compounds)
GPCR Targeted Library (31838 compounds)
Integrin Receptors Targeted library (1715 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
RAR (Nuclear receptors) Ligands Library (6524 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)
Included in 1.7M Stock Database
- 3D
- Mimetics
- Cyclic compounds
- Cyclic compounds
- Mimetics
- Nervous system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Cancer
- Musculoskeletal
- Digestive system
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Immune system
- Cancer
- Respiratory tract
- Eye
- Male
- Female
- Hemic and lymphatic
- Congenital
- Skin
- Endocrine
- Immune system
- GPCR
- Others
- Nuclear receptors
- Receptor's ligands
- PPI modulators
- PPI modulators
- Receptor's ligands
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with S635-0402 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)