C066-4625 Screening compound: 2-[3-(4-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}acetamide

C066-4625 Screening compound: 2-[3-(4-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}acetamide
C066-4625 Screening compound: 2-[3-(4-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4625
2-[3-(4-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}acetamide

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

C066-4625

Molecular Formula

C26H26ClFN6O3 (C26 H26 ClFN6 O3)

Compound Name

2-[3-(4-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}acetamide

IUPAC name

2-[3-(4-chlorophenyl)-4-oxo-4H5H-[12]oxazolo[54-d]pyrimidin-5-yl]-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}acetamide

SMILES

O=C(CN(C=Nc1c2c(-c(cc3)ccc3Cl)no1)C2=O)NCCCN(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C26H26ClFN6O3/c27-19-4-2-18(3-5-19)24-23-25(37-31-24)30-17-34(26(23)36)16-22(35)29-10-1-11-32-12-14-33(15-13-32)21-8-6-20(28)7-9-21/h2-9,17H,1,10-16H2,(H,29,35)

InChI Key

NQOKCWFHNNQKFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715995

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

524.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.418

Distribution Coefficient, logD

1.832

Water Solubility, LogSw

-3.76

Polar Surface Area

79.258

Acid Dissociation Constant (pKa)

15.94

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C066-4625 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

MCL1 Targeted Library (12200 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C066-4625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4625?
Check Price and Availability of C066-4625, 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 C066-4625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4625
  • 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 C066-4625 available by request