C066-4441 Screening compound: ethyl 2-{2-[3-(4-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamido}benzoate

C066-4441 Screening compound: ethyl 2-{2-[3-(4-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamido}benzoate
C066-4441 Screening compound: ethyl 2-{2-[3-(4-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4441
ethyl 2-{2-[3-(4-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamido}benzoate

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

C066-4441

Molecular Formula

C22H17ClN4O5 (C22 H17 ClN4 O5)

Compound Name

ethyl 2-{2-[3-(4-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamido}benzoate

IUPAC name

ethyl 2-{2-[3-(4-chlorophenyl)-4-oxo-4H5H-[12]oxazolo[54-d]pyrimidin-5-yl]acetamido}benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(C=Nc1c2c(-c(cc3)ccc3Cl)no1)C2=O)=O)=O

InChI

InChI=1S/C22H17ClN4O5/c1-2-31-22(30)15-5-3-4-6-16(15)25-17(28)11-27-12-24-20-18(21(27)29)19(26-32-20)13-7-9-14(23)10-8-13/h3-10,12H,2,11H2,1H3,(H,25,28)

InChI Key

FBXNRFAJABUDBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.85

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.190

Distribution Coefficient, logD

3.180

Water Solubility, LogSw

-4.07

Polar Surface Area

90.907

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C066-4441 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C066-4441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4441?
Check Price and Availability of C066-4441, 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 C066-4441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4441
  • 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 C066-4441 available by request