T619-3645 Screening compound: 2-(5-{[2-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidino]methyl}-1,2,4-oxadiazol-3-yl)ethyl methyl ether
Chemical Structure Depiction of ChemDiv screening compound T619-3645
2-(5-{[2-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidino]methyl}-1,2,4-oxadiazol-3-yl)ethyl methyl ether
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
T619-3645
Molecular Formula
C16H25N5O3 (C16 H25 N5 O3)
Compound Name
2-(5-{[2-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidino]methyl}-1,2,4-oxadiazol-3-yl)ethyl methyl ether
IUPAC name
1-{[3-(2-methoxyethyl)-124-oxadiazol-5-yl]methyl}-2-[3-(propan-2-yl)-124-oxadiazol-5-yl]piperidine
SMILES
CC(C)c1noc(C2N(Cc3nc(CCOC)no3)CCCC2)n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
335.41
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.393
Distribution Coefficient, logD
2.179
Water Solubility, LogSw
-2.10
Polar Surface Area
76.455
Acid Dissociation Constant (pKa)
27.43
Base Dissociation Constant (pKb)
7.20
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
75.00
T619-3645 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Protein-Protein Interaction Library (218420 compounds)
Akt-Targeted Library (14764 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- PPI modulators
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Kinases
- Cyclic compounds
References: we are preparing a list of scientific research reports with T619-3645 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)