C066-4704 Screening compound: methyl 2-{[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino}-3-hydroxypropanoate

C066-4704 Screening compound: methyl 2-{[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino}-3-hydroxypropanoate
C066-4704 Screening compound: methyl 2-{[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino}-3-hydroxypropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4704
methyl 2-{[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino}-3-hydroxypropanoate

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

C066-4704

Molecular Formula

C15H13FN4O4 (C15 H13 FN4 O4)

Compound Name

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

IUPAC name

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

SMILES

COC(C(CO)Nc1c(c(-c(cc2)ccc2F)no2)c2ncn1)=O

InChI

InChI=1S/C15H13FN4O4/c1-23-15(22)10(6-21)19-13-11-12(8-2-4-9(16)5-3-8)20-24-14(11)18-7-17-13/h2-5,7,10,21H,6H2,1H3,(H,17,18,19)/t10-/m0/s1

InChI Key

LBHAUOPGSMGKAB-JTQLQIEISA-N

MDL Number (MFCD)

MFCD14716017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.329

Distribution Coefficient, logD

1.329

Water Solubility, LogSw

-2.04

Polar Surface Area

91.214

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C066-4704 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C066-4704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4704?
Check Price and Availability of C066-4704, 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 C066-4704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4704
  • 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 C066-4704 available by request