T655-0463 Screening compound: (5-chloro-2-methoxyphenyl)[4-(5-isopropyl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]methanone
Chemical Structure Depiction of ChemDiv screening compound T655-0463
(5-chloro-2-methoxyphenyl)[4-(5-isopropyl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]methanone
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
T655-0463
Molecular Formula
C21H26ClN3O4 (C21 H26 ClN3 O4)
Compound Name
(5-chloro-2-methoxyphenyl)[4-(5-isopropyl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]methanone
IUPAC name
2-(5-chloro-2-methoxybenzoyl)-4-[5-(propan-2-yl)-134-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decane
SMILES
CC(C)c1nnc(C(CN(C2)C(c(cc(cc3)Cl)c3OC)=O)C22CCOCC2)o1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
419.91
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.074
Distribution Coefficient, logD
3.074
Water Solubility, LogSw
-3.44
Polar Surface Area
63.095
Acid Dissociation Constant (pKa)
25.94
Base Dissociation Constant (pKb)
-2.22
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
57.14
T655-0463 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antifungal Library (16415 compounds)
Bcl2-PPI Inhibitors Library (12246 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 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)
MEF2-HDAC (class II) Modulators Library (5147 compounds)
Peptidomimetic Library (37031 compounds)
SH2 PTB Focused Library (6188 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Cancer
- Hemic and lymphatic
- Cancer
- Cancer
- Musculoskeletal
- Female
- Hemic and lymphatic
- Cardiovascular
- Agro
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Epigenetic
- PPI modulators
- Mimetics
- Cyclic compounds
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with T655-0463 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)