1630-0523 Screening compound: 3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic acid
Chemical Structure Depiction of ChemDiv screening compound 1630-0523
3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic 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
1630-0523
Molecular Formula
C12H15NO6 (C12 H15 NO6)
Compound Name
3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic acid
IUPAC name
35-bis(methoxycarbonyl)-26-dimethyl-14-dihydropyridine-4-carboxylic acid
SMILES
CC(NC(C)=C(C1C(O)=O)C(OC)=O)=C1C(OC)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
269.25
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
0.105
Distribution Coefficient, logD
-4.247
Water Solubility, LogSw
-1.36
Polar Surface Area
81.381
Acid Dissociation Constant (pKa)
3.05
Base Dissociation Constant (pKb)
-1.27
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
41.70
1630-0523 in Drug Discovery
Included in Screening Libraries
Frequent Hitters Library (7624 compounds)
Included in 1.7M Stock Database
- Pool
References: we are preparing a list of scientific research reports with 1630-0523 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)