3404-5381 Screening compound: 3,5-diethyl 1-(4-ethoxyphenyl)-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

3404-5381 Screening compound: 3,5-diethyl 1-(4-ethoxyphenyl)-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
3404-5381 Screening compound: 3,5-diethyl 1-(4-ethoxyphenyl)-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3404-5381
3,5-diethyl 1-(4-ethoxyphenyl)-4-[4-(trifluoromethoxy)phenyl]-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

3404-5381

Molecular Formula

C26H26F3NO6 (C26 H26 F3 NO6)

Compound Name

3,5-diethyl 1-(4-ethoxyphenyl)-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-diethyl 1-(4-ethoxyphenyl)-4-[4-(trifluoromethoxy)phenyl]-14-dihydropyridine-35-dicarboxylate

SMILES

CCOC(C(C(c(cc1)ccc1OC(F)(F)F)C(C(OCC)=O)=C1)=CN1c(cc1)ccc1OCC)=O

InChI

InChI=1S/C26H26F3NO6/c1-4-33-19-13-9-18(10-14-19)30-15-21(24(31)34-5-2)23(22(16-30)25(32)35-6-3)17-7-11-20(12-8-17)36-26(27,28)29/h7-16,23H,4-6H2,1-3H3

InChI Key

CFRMKDPBJPLXIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01988838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.924

Distribution Coefficient, logD

5.924

Water Solubility, LogSw

-5.65

Polar Surface Area

57.217

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 3404-5381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3404-5381?
Check Price and Availability of 3404-5381, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3404-5381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3404-5381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3404-5381
  • 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 3404-5381 available by request