6786-9504 Screening compound: 3,5-dimethyl 4-(3-hydroxyphenyl)-1-(2-methoxyethyl)-1,4-dihydropyridine-3,5-dicarboxylate

6786-9504 Screening compound: 3,5-dimethyl 4-(3-hydroxyphenyl)-1-(2-methoxyethyl)-1,4-dihydropyridine-3,5-dicarboxylate
6786-9504 Screening compound: 3,5-dimethyl 4-(3-hydroxyphenyl)-1-(2-methoxyethyl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6786-9504
3,5-dimethyl 4-(3-hydroxyphenyl)-1-(2-methoxyethyl)-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

6786-9504

Molecular Formula

C18H21NO6 (C18 H21 NO6)

Compound Name

3,5-dimethyl 4-(3-hydroxyphenyl)-1-(2-methoxyethyl)-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 4-(3-hydroxyphenyl)-1-(2-methoxyethyl)-14-dihydropyridine-35-dicarboxylate

SMILES

COCCN(C=C(C1c2cc(O)ccc2)C(OC)=O)C=C1C(OC)=O

InChI

InChI=1S/C18H21NO6/c1-23-8-7-19-10-14(17(21)24-2)16(15(11-19)18(22)25-3)12-5-4-6-13(20)9-12/h4-6,9-11,16,20H,7-8H2,1-3H3

InChI Key

XFGANNQFQNUBTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03717592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.37

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

1.510

Distribution Coefficient, logD

1.488

Water Solubility, LogSw

-1.44

Polar Surface Area

71.486

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 6786-9504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6786-9504?
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What is the minimum amount of 6786-9504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6786-9504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6786-9504
  • 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 6786-9504 available by request