C651-0901 Screening compound: 3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
Chemical Structure Depiction of ChemDiv screening compound C651-0901
3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-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
C651-0901
Molecular Formula
C20H22N2O5 (C20 H22 N2 O5)
Compound Name
3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
IUPAC name
3-(34-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-45-dihydro-12-oxazole-5-carboxamide
SMILES
COc1ccc(CNC(C(C2)ON=C2c(cc2)cc(OC)c2OC)=O)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
370.41
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.292
Distribution Coefficient, logD
2.292
Water Solubility, LogSw
-2.88
Polar Surface Area
70.050
Acid Dissociation Constant (pKa)
13.50
Base Dissociation Constant (pKb)
-3.89
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
30.00
C651-0901 in Drug Discovery
Included in Screening Libraries
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with C651-0901 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of C651-0901, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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)