E944-0460 Screening compound: 2-[(3-{[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino}propyl)(2-hydroxyethyl)amino]ethan-1-ol

E944-0460 Screening compound: 2-[(3-{[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino}propyl)(2-hydroxyethyl)amino]ethan-1-ol
E944-0460 Screening compound: 2-[(3-{[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino}propyl)(2-hydroxyethyl)amino]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound E944-0460
2-[(3-{[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino}propyl)(2-hydroxyethyl)amino]ethan-1-ol

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

E944-0460

Molecular Formula

C18H22FN5O3 (C18 H22 FN5 O3)

Compound Name

2-[(3-{[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino}propyl)(2-hydroxyethyl)amino]ethan-1-ol

IUPAC name

2-[(3-{[3-(4-fluorophenyl)-[12]oxazolo[54-d]pyrimidin-4-yl]amino}propyl)(2-hydroxyethyl)amino]ethan-1-ol

SMILES

OCCN(CCCNc1c(c(-c(cc2)ccc2F)no2)c2ncn1)CCO

InChI

InChI=1S/C18H22FN5O3/c19-14-4-2-13(3-5-14)16-15-17(21-12-22-18(15)27-23-16)20-6-1-7-24(8-10-25)9-11-26/h2-5,12,25-26H,1,6-11H2,(H,20,21,22)

InChI Key

VAZKKMUNVWYGFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14929244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.501

Distribution Coefficient, logD

0.975

Water Solubility, LogSw

-1.84

Polar Surface Area

90.366

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

7.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

E944-0460 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Immune system
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E944-0460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E944-0460?
Check Price and Availability of E944-0460, 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 E944-0460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E944-0460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E944-0460
  • 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 E944-0460 available by request