E944-0432 Screening compound: methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate

E944-0432 Screening compound: methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate
E944-0432 Screening compound: methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E944-0432
methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate

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

E944-0432

Molecular Formula

C10H12N4O3 (C10 H12 N4 O3)

Compound Name

methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate

IUPAC name

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

SMILES

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

InChI

InChI=1S/C10H12N4O3/c1-5-7-8(13-6(2)10(15)16-3)11-4-12-9(7)17-14-5/h4,6H,1-3H3,(H,11,12,13)/t6-/m0/s1

InChI Key

QQYZRWJNVRMIGW-LURJTMIESA-N

MDL Number (MFCD)

MFCD14929229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.980

Distribution Coefficient, logD

0.980

Water Solubility, LogSw

-1.74

Polar Surface Area

73.710

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

E944-0432 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Immune system
Structure:
  • Fragments
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E944-0432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E944-0432?
Check Price and Availability of E944-0432, 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 E944-0432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E944-0432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E944-0432
  • 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 E944-0432 available by request