4568-7313 Screening compound: 3,5-dimethyl 4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

4568-7313 Screening compound: 3,5-dimethyl 4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
4568-7313 Screening compound: 3,5-dimethyl 4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4568-7313
3,5-dimethyl 4-(3-hydroxy-4-methoxyphenyl)-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

4568-7313

Molecular Formula

C16H17NO6 (C16 H17 NO6)

Compound Name

3,5-dimethyl 4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 4-(3-hydroxy-4-methoxyphenyl)-14-dihydropyridine-35-dicarboxylate

SMILES

COC(C(C1c(cc2)cc(O)c2OC)=CNC=C1C(OC)=O)=O

InChI

InChI=1S/C16H17NO6/c1-21-13-5-4-9(6-12(13)18)14-10(15(19)22-2)7-17-8-11(14)16(20)23-3/h4-8,14,17-18H,1-3H3

InChI Key

WNFRIMVQDBLRMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03145608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.627

Distribution Coefficient, logD

1.077

Water Solubility, LogSw

-1.94

Polar Surface Area

77.634

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4568-7313 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4568-7313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4568-7313?
Check Price and Availability of 4568-7313, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4568-7313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4568-7313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4568-7313
  • 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 4568-7313 available by request