3607-5702 Screening compound: 3,5-dimethyl 4-[3-(benzyloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

3607-5702 Screening compound: 3,5-dimethyl 4-[3-(benzyloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
3607-5702 Screening compound: 3,5-dimethyl 4-[3-(benzyloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3607-5702
3,5-dimethyl 4-[3-(benzyloxy)phenyl]-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

3607-5702

Molecular Formula

C22H21NO5 (C22 H21 NO5)

Compound Name

3,5-dimethyl 4-[3-(benzyloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 4-[3-(benzyloxy)phenyl]-14-dihydropyridine-35-dicarboxylate

SMILES

COC(C(C1c2cc(OCc3ccccc3)ccc2)=CNC=C1C(OC)=O)=O

InChI

InChI=1S/C22H21NO5/c1-26-21(24)18-12-23-13-19(22(25)27-2)20(18)16-9-6-10-17(11-16)28-14-15-7-4-3-5-8-15/h3-13,20,23H,14H2,1-2H3

InChI Key

WVBBZVHUYOBFNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02104501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.671

Distribution Coefficient, logD

3.122

Water Solubility, LogSw

-3.90

Polar Surface Area

60.683

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3607-5702 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3607-5702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3607-5702?
Check Price and Availability of 3607-5702, 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 3607-5702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3607-5702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3607-5702
  • 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 3607-5702 available by request