3404-5348 Screening compound: 3,5-dimethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate

3404-5348 Screening compound: 3,5-dimethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
3404-5348 Screening compound: 3,5-dimethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3404-5348
3,5-dimethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-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

3404-5348

Molecular Formula

C26H29NO6 (C26 H29 NO6)

Compound Name

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

IUPAC name

35-dimethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-126-trimethyl-14-dihydropyridine-35-dicarboxylate

SMILES

CC(N(C)C(C)=C(C1c(cc2)cc(OC)c2OCc2ccccc2)C(OC)=O)=C1C(OC)=O

InChI

InChI=1S/C26H29NO6/c1-16-22(25(28)31-5)24(23(26(29)32-6)17(2)27(16)3)19-12-13-20(21(14-19)30-4)33-15-18-10-8-7-9-11-18/h7-14,24H,15H2,1-6H3

InChI Key

NIXCOVHHRUJABN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01975554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.643

Distribution Coefficient, logD

3.643

Water Solubility, LogSw

-3.93

Polar Surface Area

59.345

Acid Dissociation Constant (pKa)

27.73

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

3404-5348 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 3404-5348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3404-5348?
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What is the minimum amount of 3404-5348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3404-5348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3404-5348
  • 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 3404-5348 available by request