C651-0155 Screening compound: N-tert-butyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
Chemical Structure Depiction of ChemDiv screening compound C651-0155
N-tert-butyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
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
C651-0155
Molecular Formula
C15H20N2O3 (C15 H20 N2 O3)
Compound Name
N-tert-butyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
IUPAC name
N-tert-butyl-3-(3-methoxyphenyl)-45-dihydro-12-oxazole-5-carboxamide
SMILES
CC(C)(C)NC(C(C1)ON=C1c1cc(OC)ccc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
276.34
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.894
Distribution Coefficient, logD
2.894
Water Solubility, LogSw
-3.34
Polar Surface Area
53.884
Acid Dissociation Constant (pKa)
14.56
Base Dissociation Constant (pKb)
0.86
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
46.67
C651-0155 in Drug Discovery
Included in Screening Libraries
3D-Fragment Library (4274 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- 3D
- Fragments
- Cyclic compounds
- PPI modulators
References: we are preparing a list of scientific research reports with C651-0155 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)