E944-0440 Screening compound: ethyl 4-methyl-2-({3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}amino)pentanoate

E944-0440 Screening compound: ethyl 4-methyl-2-({3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}amino)pentanoate
E944-0440 Screening compound: ethyl 4-methyl-2-({3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}amino)pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E944-0440
ethyl 4-methyl-2-({3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}amino)pentanoate

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

E944-0440

Molecular Formula

C14H20N4O3 (C14 H20 N4 O3)

Compound Name

ethyl 4-methyl-2-({3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}amino)pentanoate

IUPAC name

ethyl 4-methyl-2-({3-methyl-[12]oxazolo[54-d]pyrimidin-4-yl}amino)pentanoate

SMILES

CCOC(C(CC(C)C)Nc1ncnc2c1c(C)no2)=O

InChI

InChI=1S/C14H20N4O3/c1-5-20-14(19)10(6-8(2)3)17-12-11-9(4)18-21-13(11)16-7-15-12/h7-8,10H,5-6H2,1-4H3,(H,15,16,17)/t10-/m0/s1

InChI Key

YCUBOLZZWQLWLE-JTQLQIEISA-N

MDL Number (MFCD)

MFCD14929233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.409

Distribution Coefficient, logD

2.409

Water Solubility, LogSw

-2.28

Polar Surface Area

73.757

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

E944-0440 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

New Agro Library (44492 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Immune system
Structure:
  • Mimetics
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E944-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E944-0440?
Check Price and Availability of E944-0440, 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 E944-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E944-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E944-0440
  • 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 E944-0440 available by request