C066-4881 Screening compound: methyl 4-[(4-bromo-2-fluorophenyl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

C066-4881 Screening compound: methyl 4-[(4-bromo-2-fluorophenyl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
C066-4881 Screening compound: methyl 4-[(4-bromo-2-fluorophenyl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4881
methyl 4-[(4-bromo-2-fluorophenyl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

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

C066-4881

Molecular Formula

C13H8BrFN4O3 (C13 H8 BrFN4 O3)

Compound Name

methyl 4-[(4-bromo-2-fluorophenyl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

IUPAC name

methyl 4-[(4-bromo-2-fluorophenyl)amino]-[12]oxazolo[54-d]pyrimidine-3-carboxylate

SMILES

COC(c1noc2c1c(Nc(ccc(Br)c1)c1F)ncn2)=O

InChI

InChI=1S/C13H8BrFN4O3/c1-21-13(20)10-9-11(16-5-17-12(9)22-19-10)18-8-3-2-6(14)4-7(8)15/h2-5H,1H3,(H,16,17,18)

InChI Key

SMIMATVEMRLQRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.13

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

3.259

Distribution Coefficient, logD

3.259

Water Solubility, LogSw

-3.77

Polar Surface Area

72.449

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

C066-4881 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C066-4881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4881?
Check Price and Availability of C066-4881, 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 C066-4881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4881
  • 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 C066-4881 available by request