3012-0073 Screening compound: ethyl 2-{[5-acetyl-3-cyano-4-(4-fluorophenyl)-6-methyl-1,4-dihydro-2-pyridinyl]sulfanyl}acetate

3012-0073 Screening compound: ethyl 2-{[5-acetyl-3-cyano-4-(4-fluorophenyl)-6-methyl-1,4-dihydro-2-pyridinyl]sulfanyl}acetate
3012-0073 Screening compound: ethyl 2-{[5-acetyl-3-cyano-4-(4-fluorophenyl)-6-methyl-1,4-dihydro-2-pyridinyl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3012-0073
ethyl 2-{[5-acetyl-3-cyano-4-(4-fluorophenyl)-6-methyl-1,4-dihydro-2-pyridinyl]sulfanyl}acetate

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

3012-0073

Molecular Formula

C19H19FN2O3S (C19 H19 FN2 O3 S)

Compound Name

ethyl 2-{[5-acetyl-3-cyano-4-(4-fluorophenyl)-6-methyl-1,4-dihydro-2-pyridinyl]sulfanyl}acetate

IUPAC name

ethyl 2-{[5-acetyl-3-cyano-4-(4-fluorophenyl)-6-methyl-14-dihydropyridin-2-yl]sulfanyl}acetate

SMILES

CCOC(CSC(NC(C)=C(C1c(cc2)ccc2F)C(C)=O)=C1C#N)=O

InChI

InChI=1S/C19H19FN2O3S/c1-4-25-16(24)10-26-19-15(9-21)18(13-5-7-14(20)8-6-13)17(12(3)23)11(2)22-19/h5-8,18,22H,4,10H2,1-3H3/t18-/m0/s1

InChI Key

WNEBHVHSWFDSFM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01090304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.874

Distribution Coefficient, logD

0.645

Water Solubility, LogSw

-3.19

Polar Surface Area

61.087

Acid Dissociation Constant (pKa)

5.17

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

3012-0073 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3012-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3012-0073?
Check Price and Availability of 3012-0073, 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 3012-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3012-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3012-0073
  • 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 3012-0073 available by request