0908-0074 Screening compound: 2-{[3-(ethoxycarbonyl)-2,6-dimethylpyridin-4-yl]amino}anilinium

0908-0074 Screening compound: 2-{[3-(ethoxycarbonyl)-2,6-dimethylpyridin-4-yl]amino}anilinium
0908-0074 Screening compound: 2-{[3-(ethoxycarbonyl)-2,6-dimethylpyridin-4-yl]amino}anilinium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0908-0074
2-{[3-(ethoxycarbonyl)-2,6-dimethylpyridin-4-yl]amino}anilinium

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

0908-0074

Molecular Formula

C16H20N3O2 (C16 H20 N3 O2)

Compound Name

2-{[3-(ethoxycarbonyl)-2,6-dimethylpyridin-4-yl]amino}anilinium

IUPAC name

2-{[3-(ethoxycarbonyl)-26-dimethylpyridin-4-yl]amino}anilinium

SMILES

CCOC(c(c(C)nc(C)c1)c1Nc(cccc1)c1[NH3+])=O

InChI

InChI=1S/C16H19N3O2/c1-4-21-16(20)15-11(3)18-10(2)9-14(15)19-13-8-6-5-7-12(13)17/h5-9H,4,17H2,1-3H3,(H,18,19)/p+1

InChI Key

VWXGPJLIJVFVGY-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD00578245

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

286.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.799

Distribution Coefficient, logD

2.645

Water Solubility, LogSw

-3.13

Polar Surface Area

57.604

Acid Dissociation Constant (pKa)

16.55

Base Dissociation Constant (pKb)

7.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

0908-0074 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 0908-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0908-0074?
Check Price and Availability of 0908-0074, 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 0908-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0908-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0908-0074
  • 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 0908-0074 available by request