3705-5822 Screening compound: 3,5-dimethyl 1-[(4-methylphenyl)methyl]-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

3705-5822 Screening compound: 3,5-dimethyl 1-[(4-methylphenyl)methyl]-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
3705-5822 Screening compound: 3,5-dimethyl 1-[(4-methylphenyl)methyl]-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3705-5822
3,5-dimethyl 1-[(4-methylphenyl)methyl]-4-(3,4,5-trimethoxyphenyl)-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

3705-5822

Molecular Formula

C26H29NO7 (C26 H29 NO7)

Compound Name

3,5-dimethyl 1-[(4-methylphenyl)methyl]-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 1-[(4-methylphenyl)methyl]-4-(345-trimethoxyphenyl)-14-dihydropyridine-35-dicarboxylate

SMILES

Cc1ccc(CN(C=C(C2c(cc3OC)cc(OC)c3OC)C(OC)=O)C=C2C(OC)=O)cc1

InChI

InChI=1S/C26H29NO7/c1-16-7-9-17(10-8-16)13-27-14-19(25(28)33-5)23(20(15-27)26(29)34-6)18-11-21(30-2)24(32-4)22(12-18)31-3/h7-12,14-15,23H,13H2,1-6H3

InChI Key

IGKWIHYNVWWXOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02104987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.767

Distribution Coefficient, logD

3.767

Water Solubility, LogSw

-3.87

Polar Surface Area

68.255

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

3705-5822 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 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 3705-5822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3705-5822?
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What is the minimum amount of 3705-5822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3705-5822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3705-5822
  • 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 3705-5822 available by request