T655-0129 Screening compound: 2-(4-CHLOROPHENOXY)-1-{4-[5-(PROPAN-2-YL)-1,3,4-OXADIAZOL-2-YL]-8-OXA-2-AZASPIRO[4.5]DECAN-2-YL}ETHAN-1-ONE
Chemical Structure Depiction of ChemDiv screening compound T655-0129
2-(4-CHLOROPHENOXY)-1-{4-[5-(PROPAN-2-YL)-1,3,4-OXADIAZOL-2-YL]-8-OXA-2-AZASPIRO[4.5]DECAN-2-YL}ETHAN-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
T655-0129
Molecular Formula
C21H26ClN3O4 (C21 H26 ClN3 O4)
Compound Name
2-(4-CHLOROPHENOXY)-1-{4-[5-(PROPAN-2-YL)-1,3,4-OXADIAZOL-2-YL]-8-OXA-2-AZASPIRO[4.5]DECAN-2-YL}ETHAN-1-ONE
IUPAC name
2-(4-chlorophenoxy)-1-{4-[5-(propan-2-yl)-134-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl}ethan-1-one
SMILES
CC(C)c1nnc(C(CN(C2)C(COc(cc3)ccc3Cl)=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
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.826
Distribution Coefficient, logD
2.826
Water Solubility, LogSw
-3.32
Polar Surface Area
62.436
Acid Dissociation Constant (pKa)
24.58
Base Dissociation Constant (pKb)
-0.12
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
57.10
T655-0129 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 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)
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)
Peptidomimetic Library (37031 compounds)
SH2 PTB Focused Library (6188 compounds)
Included in 1.7M Stock Database
- Cancer
- Hemic and lymphatic
- Cancer
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
- Cyclic compounds
- Cyclic compounds
- Mimetics
- Mimetics
References: we are preparing a list of scientific research reports with T655-0129 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)