R052-2012 Screening compound: 3-amino-3-[4-(carbamoylmethoxy)-3-methoxyphenyl]propanoic acid
Chemical Structure Depiction of ChemDiv screening compound R052-2012
3-amino-3-[4-(carbamoylmethoxy)-3-methoxyphenyl]propanoic acid
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
R052-2012
Molecular Formula
C12H16N2O5 (C12 H16 N2 O5)
Compound Name
3-amino-3-[4-(carbamoylmethoxy)-3-methoxyphenyl]propanoic acid
IUPAC name
3-amino-3-[4-(carbamoylmethoxy)-3-methoxyphenyl]propanoic acid
SMILES
COc(cc(C(CC(O)=O)N)cc1)c1OCC(N)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
268.27
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
5.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
-2.516
Distribution Coefficient, logD
-2.516
Water Solubility, LogSw
-1.47
Polar Surface Area
98.015
Acid Dissociation Constant (pKa)
3.83
Base Dissociation Constant (pKb)
10.29
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
33.30
R052-2012 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Anti-Inflammatory Library (24602 compounds)
Cardiovascular Library (22201 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
SH2 PTB Focused Library (6188 compounds)
Included in 1.7M Stock Database
- 3D
- Immune system
- Cardiovascular
- Hemic and lymphatic
- Cardiovascular
References: we are preparing a list of scientific research reports with R052-2012 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)