D055-0178 Screening compound: dimethyl [5-(morpholin-4-yl)-2-(3-nitrophenyl)-1,3-oxazol-4-yl]phosphonate
Chemical Structure Depiction of ChemDiv screening compound D055-0178
dimethyl [5-(morpholin-4-yl)-2-(3-nitrophenyl)-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
D055-0178
Molecular Formula
C15H18N3O7P (C15 H18 N3 O7 P)
Compound Name
dimethyl [5-(morpholin-4-yl)-2-(3-nitrophenyl)-1,3-oxazol-4-yl]phosphonate
IUPAC name
dimethyl [5-(morpholin-4-yl)-2-(3-nitrophenyl)-13-oxazol-4-yl]phosphonate
SMILES
COP(c1c(N2CCOCC2)oc(-c2cc([N+]([O-])=O)ccc2)n1)(OC)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
383.3
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
1.205
Distribution Coefficient, logD
1.205
Water Solubility, LogSw
-1.93
Polar Surface Area
92.942
Acid Dissociation Constant (pKa)
27.23
Base Dissociation Constant (pKb)
-4.51
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
40.00
D055-0178 in Drug Discovery
Included in Screening Libraries
Akt-Targeted Library (14764 compounds)
Included in 1.7M Stock Database
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Kinases
References: we are preparing a list of scientific research reports with D055-0178 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)