4223-6740 Screening compound: 3,5-dimethyl 1-[(oxolan-2-yl)methyl]-4-(3-phenoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

4223-6740 Screening compound: 3,5-dimethyl 1-[(oxolan-2-yl)methyl]-4-(3-phenoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
4223-6740 Screening compound: 3,5-dimethyl 1-[(oxolan-2-yl)methyl]-4-(3-phenoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4223-6740
3,5-dimethyl 1-[(oxolan-2-yl)methyl]-4-(3-phenoxyphenyl)-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

4223-6740

Molecular Formula

C26H27NO6 (C26 H27 NO6)

Compound Name

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

IUPAC name

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

SMILES

COC(C(C1c2cc(Oc3ccccc3)ccc2)=CN(CC2OCCC2)C=C1C(OC)=O)=O

InChI

InChI=1S/C26H27NO6/c1-30-25(28)22-16-27(15-21-12-7-13-32-21)17-23(26(29)31-2)24(22)18-8-6-11-20(14-18)33-19-9-4-3-5-10-19/h3-6,8-11,14,16-17,21,24H,7,12-13,15H2,1-2H3/t21-/m1/s1

InChI Key

YIAUKNRBPUPATJ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD02627265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.763

Distribution Coefficient, logD

3.763

Water Solubility, LogSw

-4.04

Polar Surface Area

60.679

Acid Dissociation Constant (pKa)

26.64

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

4223-6740 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 4223-6740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4223-6740?
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What is the minimum amount of 4223-6740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4223-6740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4223-6740
  • 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 4223-6740 available by request