C612-1276 Screening compound: ethyl 1-{4-[(3-methoxyanilino)carbonyl]-2-pyridyl}-4-piperidinecarboxylate
Chemical Structure Depiction of ChemDiv screening compound C612-1276
ethyl 1-{4-[(3-methoxyanilino)carbonyl]-2-pyridyl}-4-piperidinecarboxylate
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
C612-1276
Molecular Formula
C21H25N3O4 (C21 H25 N3 O4)
Compound Name
ethyl 1-{4-[(3-methoxyanilino)carbonyl]-2-pyridyl}-4-piperidinecarboxylate
IUPAC name
ethyl 1-{4-[(3-methoxyphenyl)carbamoyl]pyridin-2-yl}piperidine-4-carboxylate
SMILES
CCOC(C(CC1)CCN1c1nccc(C(Nc2cc(OC)ccc2)=O)c1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
383.45
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
3.712
Distribution Coefficient, logD
3.712
Water Solubility, LogSw
-3.90
Polar Surface Area
63.591
Acid Dissociation Constant (pKa)
11.03
Base Dissociation Constant (pKb)
2.73
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
38.10
C612-1276 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with C612-1276 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)