J004-1092 Screening compound: 5-{1-[5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl}-3-methyl-1,2-oxazole
Chemical Structure Depiction of ChemDiv screening compound J004-1092
5-{1-[5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl}-3-methyl-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
J004-1092
Molecular Formula
C19H19N3O4 (C19 H19 N3 O4)
Compound Name
5-{1-[5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl}-3-methyl-1,2-oxazole
IUPAC name
5-{1-[5-(4-methoxyphenyl)-12-oxazole-3-carbonyl]pyrrolidin-2-yl}-3-methyl-12-oxazole
SMILES
Cc1noc(C(CCC2)N2C(c2noc(-c(cc3)ccc3OC)c2)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
353.38
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
3.056
Distribution Coefficient, logD
3.056
Water Solubility, LogSw
-3.07
Polar Surface Area
67.367
Acid Dissociation Constant (pKa)
24.25
Base Dissociation Constant (pKb)
-4.80
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
31.60
J004-1092 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Hsp90-Targeted Library (11355 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Immune system
- Cancer
- PPI modulators
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with J004-1092 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)