D039-0003 Screening compound: ethyl 2,6-dimethyl-5-[(piperidinocarbonyl)amino]nicotinate

D039-0003 Screening compound: ethyl 2,6-dimethyl-5-[(piperidinocarbonyl)amino]nicotinate
D039-0003 Screening compound: ethyl 2,6-dimethyl-5-[(piperidinocarbonyl)amino]nicotinate alternative view

Chemical Structure Depiction of ChemDiv screening compound D039-0003
ethyl 2,6-dimethyl-5-[(piperidinocarbonyl)amino]nicotinate

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

D039-0003

Molecular Formula

C16H23N3O3 (C16 H23 N3 O3)

Compound Name

ethyl 2,6-dimethyl-5-[(piperidinocarbonyl)amino]nicotinate

IUPAC name

ethyl 26-dimethyl-5-[(piperidine-1-carbonyl)amino]pyridine-3-carboxylate

SMILES

CCOC(c1cc(NC(N2CCCCC2)=O)c(C)nc1C)=O

InChI

InChI=1S/C16H23N3O3/c1-4-22-15(20)13-10-14(12(3)17-11(13)2)18-16(21)19-8-6-5-7-9-19/h10H,4-9H2,1-3H3,(H,18,21)

InChI Key

QQQKZNHZKIYUCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04215423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.870

Distribution Coefficient, logD

2.870

Water Solubility, LogSw

-3.23

Polar Surface Area

55.533

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.25

D039-0003 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

SH2 Library (10483 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Endocrine
Agro:
  • Agro
Structure:
  • Pool
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D039-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D039-0003?
Check Price and Availability of D039-0003, 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 D039-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D039-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D039-0003
  • 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 D039-0003 available by request