3448-8421 Screening compound: 3,5-dimethyl 4-(2-butoxyphenyl)-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate

3448-8421 Screening compound: 3,5-dimethyl 4-(2-butoxyphenyl)-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
3448-8421 Screening compound: 3,5-dimethyl 4-(2-butoxyphenyl)-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-8421
3,5-dimethyl 4-(2-butoxyphenyl)-1,2,6-trimethyl-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

3448-8421

Molecular Formula

C22H29NO5 (C22 H29 NO5)

Compound Name

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

IUPAC name

35-dimethyl 4-(2-butoxyphenyl)-126-trimethyl-14-dihydropyridine-35-dicarboxylate

SMILES

CCCCOc1c(C2C(C(OC)=O)=C(C)N(C)C(C)=C2C(OC)=O)cccc1

InChI

InChI=1S/C22H29NO5/c1-7-8-13-28-17-12-10-9-11-16(17)20-18(21(24)26-5)14(2)23(4)15(3)19(20)22(25)27-6/h9-12,20H,7-8,13H2,1-6H3

InChI Key

UFHJZJRXWNNBJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01975553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.215

Distribution Coefficient, logD

4.215

Water Solubility, LogSw

-4.25

Polar Surface Area

51.905

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

3448-8421 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3448-8421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-8421?
Check Price and Availability of 3448-8421, 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 3448-8421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-8421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-8421
  • 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 3448-8421 available by request