4737-7467 Screening compound: 3,5-dimethyl 4-(2H-1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-1,4-dihydropyridine-3,5-dicarboxylate

4737-7467 Screening compound: 3,5-dimethyl 4-(2H-1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-1,4-dihydropyridine-3,5-dicarboxylate
4737-7467 Screening compound: 3,5-dimethyl 4-(2H-1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4737-7467
3,5-dimethyl 4-(2H-1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-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

4737-7467

Molecular Formula

C19H21NO7 (C19 H21 NO7)

Compound Name

3,5-dimethyl 4-(2H-1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 4-(2H-13-benzodioxol-5-yl)-1-(2-methoxyethyl)-14-dihydropyridine-35-dicarboxylate

SMILES

COCCN(C=C(C1c(cc2)cc3c2OCO3)C(OC)=O)C=C1C(OC)=O

InChI

InChI=1S/C19H21NO7/c1-23-7-6-20-9-13(18(21)24-2)17(14(10-20)19(22)25-3)12-4-5-15-16(8-12)27-11-26-15/h4-5,8-10,17H,6-7,11H2,1-3H3

InChI Key

ZDIBMHLVXXKYMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03145532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.908

Distribution Coefficient, logD

1.908

Water Solubility, LogSw

-2.34

Polar Surface Area

70.985

Acid Dissociation Constant (pKa)

28.93

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

4737-7467 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4737-7467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4737-7467?
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What is the minimum amount of 4737-7467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4737-7467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4737-7467
  • 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 4737-7467 available by request