2279-3630 Screening compound: 3,5-diethyl 2,6-dimethyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

2279-3630 Screening compound: 3,5-diethyl 2,6-dimethyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
2279-3630 Screening compound: 3,5-diethyl 2,6-dimethyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2279-3630
3,5-diethyl 2,6-dimethyl-4-(thiophen-2-yl)-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

2279-3630

Molecular Formula

C17H21NO4S (C17 H21 NO4 S)

Compound Name

3,5-diethyl 2,6-dimethyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-diethyl 26-dimethyl-4-(thiophen-2-yl)-14-dihydropyridine-35-dicarboxylate

SMILES

CCOC(C(C1c2cccs2)=C(C)NC(C)=C1C(OCC)=O)=O

InChI

InChI=1S/C17H21NO4S/c1-5-21-16(19)13-10(3)18-11(4)14(17(20)22-6-2)15(13)12-8-7-9-23-12/h7-9,15,18H,5-6H2,1-4H3

InChI Key

JCHPOTOEIRYEPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00474170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.166

Distribution Coefficient, logD

-1.114

Water Solubility, LogSw

-3.13

Polar Surface Area

52.880

Acid Dissociation Constant (pKa)

3.12

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

2279-3630 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 2279-3630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2279-3630?
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What is the minimum amount of 2279-3630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2279-3630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2279-3630
  • 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 2279-3630 available by request