J004-1206 Screening compound: 5-methyl-3-[1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1,2-oxazole
Chemical Structure Depiction of ChemDiv screening compound J004-1206
5-methyl-3-[1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1,2-oxazole
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
J004-1206
Molecular Formula
C13H15N3O3 (C13 H15 N3 O3)
Compound Name
5-methyl-3-[1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1,2-oxazole
IUPAC name
5-methyl-3-[1-(3-methyl-12-oxazole-5-carbonyl)pyrrolidin-2-yl]-12-oxazole
SMILES
Cc1noc(C(N(CCC2)C2c2noc(C)c2)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
261.28
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.538
Distribution Coefficient, logD
1.538
Water Solubility, LogSw
-1.51
Polar Surface Area
59.517
Acid Dissociation Constant (pKa)
26.86
Base Dissociation Constant (pKb)
-2.83
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
46.20
J004-1206 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS MPO Library (28609 compounds)
Fragments Library (11262 compounds)
GPCR Targeted Library (31838 compounds)
Protein-Protein Interaction Library (218420 compounds)
Soluble Diversity Library (15920 compounds)
Targeted Diversity Library (40567 compounds)
Akt-Targeted Library (14764 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Included in 1.7M Stock Database
- Nervous system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Cancer
- Fragments
- Cyclic compounds
- GPCR
- Kinases
- Receptor's ligands
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with J004-1206 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)