5071-7812 Screening compound: 3,5-dimethyl 1-(adamantan-1-yl)-4-(3-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

5071-7812 Screening compound: 3,5-dimethyl 1-(adamantan-1-yl)-4-(3-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
5071-7812 Screening compound: 3,5-dimethyl 1-(adamantan-1-yl)-4-(3-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5071-7812
3,5-dimethyl 1-(adamantan-1-yl)-4-(3-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

5071-7812

Molecular Formula

C26H31NO5 (C26 H31 NO5)

Compound Name

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

IUPAC name

35-dimethyl 1-(adamantan-1-yl)-4-(3-methoxyphenyl)-14-dihydropyridine-35-dicarboxylate

SMILES

COC(C(C1c2cc(OC)ccc2)=CN(C2(CC(C3)C4)CC4CC3C2)C=C1C(OC)=O)=O

InChI

InChI=1S/C26H31NO5/c1-30-20-6-4-5-19(10-20)23-21(24(28)31-2)14-27(15-22(23)25(29)32-3)26-11-16-7-17(12-26)9-18(8-16)13-26/h4-6,10,14-18,23H,7-9,11-13H2,1-3H3

InChI Key

WAMOCHGFKPSIRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03312485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.717

Distribution Coefficient, logD

4.717

Water Solubility, LogSw

-4.68

Polar Surface Area

52.232

Acid Dissociation Constant (pKa)

25.81

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

References: we are preparing a list of scientific research reports with 5071-7812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5071-7812?
Check Price and Availability of 5071-7812, 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 5071-7812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5071-7812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5071-7812
  • 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 5071-7812 available by request