5198-8127 Screening compound: 3,5-dimethyl 4-(3-ethoxy-4-hydroxyphenyl)-1-[(oxolan-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate

5198-8127 Screening compound: 3,5-dimethyl 4-(3-ethoxy-4-hydroxyphenyl)-1-[(oxolan-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
5198-8127 Screening compound: 3,5-dimethyl 4-(3-ethoxy-4-hydroxyphenyl)-1-[(oxolan-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5198-8127
3,5-dimethyl 4-(3-ethoxy-4-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

5198-8127

Molecular Formula

C22H27NO7 (C22 H27 NO7)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(C1C(C(OC)=O)=CN(CC2OCCC2)C=C1C(OC)=O)cc1)c1O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.884

Distribution Coefficient, logD

1.884

Water Solubility, LogSw

-2.18

Polar Surface Area

77.689

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

5198-8127 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5198-8127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5198-8127?
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What is the minimum amount of 5198-8127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5198-8127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5198-8127
  • 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 5198-8127 available by request