1630-0456 Screening compound: 3,5-diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

1630-0456 Screening compound: 3,5-diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
1630-0456 Screening compound: 3,5-diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0456
3,5-diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

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

1630-0456

Molecular Formula

C19H22N2O6 (C19 H22 N2 O6)

Compound Name

3,5-diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-diethyl 26-dimethyl-4-(3-nitrophenyl)-14-dihydropyridine-35-dicarboxylate

SMILES

CCOC(C(C1c2cccc([N+]([O-])=O)c2)=C(C)NC(C)=C1C(OCC)=O)=O

InChI

InChI=1S/C19H22N2O6/c1-5-26-18(22)15-11(3)20-12(4)16(19(23)27-6-2)17(15)13-8-7-9-14(10-13)21(24)25/h7-10,17,20H,5-6H2,1-4H3

InChI Key

ITAOFSSOVNYZCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00087193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.326

Distribution Coefficient, logD

-0.803

Water Solubility, LogSw

-3.49

Polar Surface Area

85.243

Acid Dissociation Constant (pKa)

3.27

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

1630-0456 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Ion Channels Annotated Library (353 compounds)

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 1630-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0456?
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What is the minimum amount of 1630-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0456
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 1630-0456 available by request