D039-3038 Screening compound: ethyl 2,6-dimethyl-5-[(4-methylpiperazine-1-carbonyl)amino]pyridine-3-carboxylate

D039-3038 Screening compound: ethyl 2,6-dimethyl-5-[(4-methylpiperazine-1-carbonyl)amino]pyridine-3-carboxylate
D039-3038 Screening compound: ethyl 2,6-dimethyl-5-[(4-methylpiperazine-1-carbonyl)amino]pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D039-3038
ethyl 2,6-dimethyl-5-[(4-methylpiperazine-1-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

D039-3038

Molecular Formula

C16H24N4O3 (C16 H24 N4 O3)

Compound Name

ethyl 2,6-dimethyl-5-[(4-methylpiperazine-1-carbonyl)amino]pyridine-3-carboxylate

IUPAC name

ethyl 26-dimethyl-5-[(4-methylpiperazine-1-carbonyl)amino]pyridine-3-carboxylate

SMILES

CCOC(c1cc(NC(N2CCN(C)CC2)=O)c(C)nc1C)=O

InChI

InChI=1S/C16H24N4O3/c1-5-23-15(21)13-10-14(12(3)17-11(13)2)18-16(22)20-8-6-19(4)7-9-20/h10H,5-9H2,1-4H3,(H,18,22)

InChI Key

MUWDHGDFSOKLGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.39

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

1.688

Distribution Coefficient, logD

0.690

Water Solubility, LogSw

-2.56

Polar Surface Area

59.010

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

8.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

D039-3038 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Soluble Diversity Library (15920 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Cancer
  • Endocrine
  • Immune system

References: we are preparing a list of scientific research reports with D039-3038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D039-3038?
Check Price and Availability of D039-3038, 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 D039-3038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D039-3038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D039-3038
  • 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 D039-3038 available by request