E899-0411 Screening compound: N-(2,3-DIMETHYLPHENYL)-N-[3-(4-FLUOROPHENYL)ISOXAZOLO[5,4-D]PYRIMIDIN-4-YL]AMINE

E899-0411 Screening compound: N-(2,3-DIMETHYLPHENYL)-N-[3-(4-FLUOROPHENYL)ISOXAZOLO[5,4-D]PYRIMIDIN-4-YL]AMINE
E899-0411 Screening compound: N-(2,3-DIMETHYLPHENYL)-N-[3-(4-FLUOROPHENYL)ISOXAZOLO[5,4-D]PYRIMIDIN-4-YL]AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound E899-0411
N-(2,3-DIMETHYLPHENYL)-N-[3-(4-FLUOROPHENYL)ISOXAZOLO[5,4-D]PYRIMIDIN-4-YL]AMINE

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

E899-0411

Molecular Formula

C19H15FN4O (C19 H15 FN4 O)

Compound Name

N-(2,3-DIMETHYLPHENYL)-N-[3-(4-FLUOROPHENYL)ISOXAZOLO[5,4-D]PYRIMIDIN-4-YL]AMINE

IUPAC name

n/a

SMILES

Cc1cccc(Nc2c(c(-c(cc3)ccc3F)no3)c3ncn2)c1C

InChI

InChI=1S/C19H15FN4O/c1-11-4-3-5-15(12(11)2)23-18-16-17(13-6-8-14(20)9-7-13)24-25-19(16)22-10-21-18/h3-10H,1-2H3,(H,21,22,23)

InChI Key

UVTPIEBCKYUPPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14926775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.887

Distribution Coefficient, logD

4.887

Water Solubility, LogSw

-4.78

Polar Surface Area

51.003

Acid Dissociation Constant (pKa)

18.10

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

2.00

E899-0411 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with E899-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E899-0411?
Check Price and Availability of E899-0411, 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 E899-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E899-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E899-0411
  • 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 E899-0411 available by request