4455-0037 Screening compound: ethyl N-{5-[(ethoxycarbonyl)amino]-2,6-dimethylpyridin-3-yl}carbamate

4455-0037 Screening compound: ethyl N-{5-[(ethoxycarbonyl)amino]-2,6-dimethylpyridin-3-yl}carbamate
4455-0037 Screening compound: ethyl N-{5-[(ethoxycarbonyl)amino]-2,6-dimethylpyridin-3-yl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4455-0037
ethyl N-{5-[(ethoxycarbonyl)amino]-2,6-dimethylpyridin-3-yl}carbamate

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

4455-0037

Molecular Formula

C13H19N3O4 (C13 H19 N3 O4)

Compound Name

ethyl N-{5-[(ethoxycarbonyl)amino]-2,6-dimethylpyridin-3-yl}carbamate

IUPAC name

ethyl N-{5-[(ethoxycarbonyl)amino]-26-dimethylpyridin-3-yl}carbamate

SMILES

CCOC(Nc1cc(NC(OCC)=O)c(C)nc1C)=O

InChI

InChI=1S/C13H19N3O4/c1-5-19-12(17)15-10-7-11(9(4)14-8(10)3)16-13(18)20-6-2/h7H,5-6H2,1-4H3,(H,15,17)(H,16,18)

InChI Key

LUARRZROESXBDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02724730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.907

Distribution Coefficient, logD

1.447

Water Solubility, LogSw

-2.58

Polar Surface Area

71.500

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

7.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

4455-0037 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4455-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4455-0037?
Check Price and Availability of 4455-0037, 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 4455-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4455-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4455-0037
  • 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 4455-0037 available by request