T787-2356 Screening compound: N-cyclopentyl-2-(1H-indole-4-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound T787-2356
N-cyclopentyl-2-(1H-indole-4-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
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
T787-2356
Molecular Formula
C23H29N3O3 (C23 H29 N3 O3)
Compound Name
N-cyclopentyl-2-(1H-indole-4-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
IUPAC name
N-cyclopentyl-2-(1H-indole-4-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILES
O=C(C(CN(C1)C(c2c(cc[nH]3)c3ccc2)=O)C11CCOCC1)NC1CCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
395.5
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.289
Distribution Coefficient, logD
2.289
Water Solubility, LogSw
-2.91
Polar Surface Area
59.234
Acid Dissociation Constant (pKa)
15.23
Base Dissociation Constant (pKb)
1.26
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
56.50
T787-2356 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
Bcl2-PPI Inhibitors Library (12246 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
GPCR Targeted Library (31838 compounds)
Indole Derivatives (10091 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 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)
Inhibitors of beta-Catenin Signaling (7445 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Hemic and lymphatic
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Cancer
- PPI modulators
- Receptor's ligands
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- GPCR
- Cyclic compounds
- Mimetics
- Mimetics
- Cyclic compounds
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with T787-2356 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)