S511-0722 Screening compound: 4-(1H-indol-3-yl)-1-{4-[2-(morpholin-4-yl)-2-oxoethyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl}butan-1-one
Chemical Structure Depiction of ChemDiv screening compound S511-0722
4-(1H-indol-3-yl)-1-{4-[2-(morpholin-4-yl)-2-oxoethyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl}butan-1-one
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
S511-0722
Molecular Formula
C27H37N3O4 (C27 H37 N3 O4)
Compound Name
4-(1H-indol-3-yl)-1-{4-[2-(morpholin-4-yl)-2-oxoethyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl}butan-1-one
IUPAC name
4-(1H-indol-3-yl)-1-{4-[2-(morpholin-4-yl)-2-oxoethyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl}butan-1-one
SMILES
O=C(CCCc1c[nH]c2c1cccc2)N(CC1)CCC11OCCC(CC(N2CCOCC2)=O)C1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
467.61
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.362
Distribution Coefficient, logD
2.362
Water Solubility, LogSw
-2.70
Polar Surface Area
56.861
Acid Dissociation Constant (pKa)
18.49
Base Dissociation Constant (pKb)
-0.05
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
62.96
S511-0722 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
3D-Pharmacophore Based Diversity Library (49813 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- 3D
- Mimetics
- Cyclic compounds
- Cyclic compounds
- PPI modulators
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with S511-0722 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)