D039-0004 Screening compound: ethyl 2,6-dimethyl-5-[(morpholine-4-carbonyl)amino]pyridine-3-carboxylate

D039-0004 Screening compound: ethyl 2,6-dimethyl-5-[(morpholine-4-carbonyl)amino]pyridine-3-carboxylate
D039-0004 Screening compound: ethyl 2,6-dimethyl-5-[(morpholine-4-carbonyl)amino]pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D039-0004
ethyl 2,6-dimethyl-5-[(morpholine-4-carbonyl)amino]pyridine-3-carboxylate

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

D039-0004

Molecular Formula

C15H21N3O4 (C15 H21 N3 O4)

Compound Name

ethyl 2,6-dimethyl-5-[(morpholine-4-carbonyl)amino]pyridine-3-carboxylate

IUPAC name

ethyl 26-dimethyl-5-[(morpholine-4-carbonyl)amino]pyridine-3-carboxylate

SMILES

CCOC(c1cc(NC(N2CCOCC2)=O)c(C)nc1C)=O

InChI

InChI=1S/C15H21N3O4/c1-4-22-14(19)12-9-13(11(3)16-10(12)2)17-15(20)18-5-7-21-8-6-18/h9H,4-8H2,1-3H3,(H,17,20)

InChI Key

RQZBKQPPAFACII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04214619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.711

Distribution Coefficient, logD

1.711

Water Solubility, LogSw

-2.62

Polar Surface Area

63.441

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

D039-0004 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

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

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

SH2 Library (10483 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 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
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cancer
  • Endocrine
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D039-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D039-0004?
Check Price and Availability of D039-0004, 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 D039-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D039-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D039-0004
  • 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 D039-0004 available by request