3004-4859 Screening compound: 3,5-dimethyl 1,2,6-trimethyl-4-(4-propoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

3004-4859 Screening compound: 3,5-dimethyl 1,2,6-trimethyl-4-(4-propoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
3004-4859 Screening compound: 3,5-dimethyl 1,2,6-trimethyl-4-(4-propoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3004-4859
3,5-dimethyl 1,2,6-trimethyl-4-(4-propoxyphenyl)-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

3004-4859

Molecular Formula

C21H27NO5 (C21 H27 NO5)

Compound Name

3,5-dimethyl 1,2,6-trimethyl-4-(4-propoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 126-trimethyl-4-(4-propoxyphenyl)-14-dihydropyridine-35-dicarboxylate

SMILES

CCCOc1ccc(C2C(C(OC)=O)=C(C)N(C)C(C)=C2C(OC)=O)cc1

InChI

InChI=1S/C21H27NO5/c1-7-12-27-16-10-8-15(9-11-16)19-17(20(23)25-5)13(2)22(4)14(3)18(19)21(24)26-6/h8-11,19H,7,12H2,1-6H3

InChI Key

LCKZWXBQSZKLMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01824491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.407

Distribution Coefficient, logD

3.407

Water Solubility, LogSw

-3.32

Polar Surface Area

51.818

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 3004-4859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3004-4859?
Check Price and Availability of 3004-4859, 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 3004-4859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3004-4859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3004-4859
  • 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 3004-4859 available by request