8011-5520 Screening compound: 3,5-diethyl 1-(3,5-dimethylphenyl)-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

8011-5520 Screening compound: 3,5-diethyl 1-(3,5-dimethylphenyl)-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
8011-5520 Screening compound: 3,5-diethyl 1-(3,5-dimethylphenyl)-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5520
3,5-diethyl 1-(3,5-dimethylphenyl)-4-[3-(trifluoromethyl)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

8011-5520

Molecular Formula

C26H26F3NO4 (C26 H26 F3 NO4)

Compound Name

3,5-diethyl 1-(3,5-dimethylphenyl)-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-diethyl 1-(35-dimethylphenyl)-4-[3-(trifluoromethyl)phenyl]-14-dihydropyridine-35-dicarboxylate

SMILES

CCOC(C(C(c1cccc(C(F)(F)F)c1)C(C(OCC)=O)=C1)=CN1c1cc(C)cc(C)c1)=O

InChI

InChI=1S/C26H26F3NO4/c1-5-33-24(31)21-14-30(20-11-16(3)10-17(4)12-20)15-22(25(32)34-6-2)23(21)18-8-7-9-19(13-18)26(27,28)29/h7-15,23H,5-6H2,1-4H3

InChI Key

NGUHQVFMYYDSGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02105346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.219

Distribution Coefficient, logD

6.219

Water Solubility, LogSw

-5.65

Polar Surface Area

44.156

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 8011-5520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5520?
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What is the minimum amount of 8011-5520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5520
  • 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 8011-5520 available by request