4568-7326 Screening compound: 3,5-dimethyl 4-(4-hydroxy-3-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

4568-7326 Screening compound: 3,5-dimethyl 4-(4-hydroxy-3-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
4568-7326 Screening compound: 3,5-dimethyl 4-(4-hydroxy-3-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4568-7326
3,5-dimethyl 4-(4-hydroxy-3-methoxyphenyl)-1-[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

4568-7326

Molecular Formula

C23H20F3NO6 (C23 H20 F3 NO6)

Compound Name

3,5-dimethyl 4-(4-hydroxy-3-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 4-(4-hydroxy-3-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-14-dihydropyridine-35-dicarboxylate

SMILES

COC(C(C(c(cc1)cc(OC)c1O)C(C(OC)=O)=C1)=CN1c1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C23H20F3NO6/c1-31-19-9-13(7-8-18(19)28)20-16(21(29)32-2)11-27(12-17(20)22(30)33-3)15-6-4-5-14(10-15)23(24,25)26/h4-12,20,28H,1-3H3

InChI Key

CKZJBMOLZHFNAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03145421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.583

Distribution Coefficient, logD

3.583

Water Solubility, LogSw

-3.42

Polar Surface Area

69.175

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

4568-7326 in Drug Discovery

Included in Screening Libraries

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 4568-7326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4568-7326?
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What is the minimum amount of 4568-7326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4568-7326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4568-7326
  • 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 4568-7326 available by request