3064-5093 Screening compound: 3,5-dimethyl 4-[4-(benzyloxy)phenyl]-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate

3064-5093 Screening compound: 3,5-dimethyl 4-[4-(benzyloxy)phenyl]-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
3064-5093 Screening compound: 3,5-dimethyl 4-[4-(benzyloxy)phenyl]-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3064-5093
3,5-dimethyl 4-[4-(benzyloxy)phenyl]-1,2,6-trimethyl-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

3064-5093

Molecular Formula

C25H27NO5 (C25 H27 NO5)

Compound Name

3,5-dimethyl 4-[4-(benzyloxy)phenyl]-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 4-[4-(benzyloxy)phenyl]-126-trimethyl-14-dihydropyridine-35-dicarboxylate

SMILES

CC(N(C)C(C)=C(C1c(cc2)ccc2OCc2ccccc2)C(OC)=O)=C1C(OC)=O

InChI

InChI=1S/C25H27NO5/c1-16-21(24(27)29-4)23(22(25(28)30-5)17(2)26(16)3)19-11-13-20(14-12-19)31-15-18-9-7-6-8-10-18/h6-14,23H,15H2,1-5H3

InChI Key

DEEAUQWEVSXBOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.862

Distribution Coefficient, logD

3.862

Water Solubility, LogSw

-4.13

Polar Surface Area

51.628

Acid Dissociation Constant (pKa)

27.73

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

3064-5093 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3064-5093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3064-5093?
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What is the minimum amount of 3064-5093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3064-5093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3064-5093
  • 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 3064-5093 available by request