4568-7264 Screening compound: 3,5-dimethyl 4-(3-hydroxyphenyl)-1-[(oxolan-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate

4568-7264 Screening compound: 3,5-dimethyl 4-(3-hydroxyphenyl)-1-[(oxolan-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
4568-7264 Screening compound: 3,5-dimethyl 4-(3-hydroxyphenyl)-1-[(oxolan-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4568-7264
3,5-dimethyl 4-(3-hydroxyphenyl)-1-[(oxolan-2-yl)methyl]-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

4568-7264

Molecular Formula

C20H23NO6 (C20 H23 NO6)

Compound Name

3,5-dimethyl 4-(3-hydroxyphenyl)-1-[(oxolan-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 4-(3-hydroxyphenyl)-1-[(oxolan-2-yl)methyl]-14-dihydropyridine-35-dicarboxylate

SMILES

COC(C(C1c2cc(O)ccc2)=CN(CC2OCCC2)C=C1C(OC)=O)=O

InChI

InChI=1S/C20H23NO6/c1-25-19(23)16-11-21(10-15-7-4-8-27-15)12-17(20(24)26-2)18(16)13-5-3-6-14(22)9-13/h3,5-6,9,11-12,15,18,22H,4,7-8,10H2,1-2H3/t15-/m1/s1

InChI Key

HJIWXKDTUCXAKG-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03036710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.683

Distribution Coefficient, logD

1.661

Water Solubility, LogSw

-1.59

Polar Surface Area

71.548

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

4568-7264 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

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 4568-7264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4568-7264?
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What is the minimum amount of 4568-7264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4568-7264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4568-7264
  • 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 4568-7264 available by request