S635-2612 Screening compound: {8-[(3-fluoropyridin-4-yl)methyl]-2-(pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-4-yl}methanol
Chemical Structure Depiction of ChemDiv screening compound S635-2612
{8-[(3-fluoropyridin-4-yl)methyl]-2-(pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-4-yl}methanol
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
S635-2612
Molecular Formula
C19H24FN5O (C19 H24 FN5 O)
Compound Name
{8-[(3-fluoropyridin-4-yl)methyl]-2-(pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-4-yl}methanol
IUPAC name
{8-[(3-fluoropyridin-4-yl)methyl]-2-(pyrimidin-4-yl)-28-diazaspiro[4.5]decan-4-yl}methanol
SMILES
OCC(CN(C1)c2ncncc2)C11CCN(Cc(ccnc2)c2F)CC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
357.43
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.586
Distribution Coefficient, logD
1.466
Water Solubility, LogSw
-0.73
Polar Surface Area
53.672
Acid Dissociation Constant (pKa)
15.96
Base Dissociation Constant (pKb)
6.90
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
52.60
S635-2612 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
GPCR Targeted Library (31838 compounds)
Immunological Library (6760 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)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)
New Agro Library (44492 compounds)
Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)
Included in 1.7M Stock Database
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Cancer
- Digestive system
- Female
- Hemic and lymphatic
- Metabolic
- Immune system
- GPCR
- Kinases
- Others
- Receptor's ligands
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
- Cyclic compounds
- Mimetics
- Agro
References: we are preparing a list of scientific research reports with S635-2612 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)