D055-0186 Screening compound: dimethyl [2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazol-4-yl]phosphonate
Chemical Structure Depiction of ChemDiv screening compound D055-0186
dimethyl [2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazol-4-yl]phosphonate
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
D055-0186
Molecular Formula
C23H29N2O8P (C23 H29 N2 O8 P)
Compound Name
dimethyl [2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazol-4-yl]phosphonate
IUPAC name
dimethyl [2-(34-dimethoxyphenyl)-5-{[2-(34-dimethoxyphenyl)ethyl]amino}-13-oxazol-4-yl]phosphonate
SMILES
COc(ccc(CCNc(oc(-c(cc1)cc(OC)c1OC)n1)c1P(OC)(OC)=O)c1)c1OC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
492.47
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
12.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
1.732
Distribution Coefficient, logD
1.732
Water Solubility, LogSw
-2.09
Polar Surface Area
88.538
Acid Dissociation Constant (pKa)
18.69
Base Dissociation Constant (pKb)
-3.92
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
34.80
D055-0186 in Drug Discovery
Included in Screening Libraries
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with D055-0186 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)