C066-4619 Screening compound: N-{3-[butyl(ethyl)amino]propyl}-2-[3-(4-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide

C066-4619 Screening compound: N-{3-[butyl(ethyl)amino]propyl}-2-[3-(4-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
C066-4619 Screening compound: N-{3-[butyl(ethyl)amino]propyl}-2-[3-(4-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4619
N-{3-[butyl(ethyl)amino]propyl}-2-[3-(4-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]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

C066-4619

Molecular Formula

C22H28ClN5O3 (C22 H28 ClN5 O3)

Compound Name

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

IUPAC name

N-{3-[butyl(ethyl)amino]propyl}-2-[3-(4-chlorophenyl)-4-oxo-4H5H-[12]oxazolo[54-d]pyrimidin-5-yl]acetamide

SMILES

CCCCN(CC)CCCNC(CN(C=Nc1c2c(-c(cc3)ccc3Cl)no1)C2=O)=O

InChI

InChI=1S/C22H28ClN5O3/c1-3-5-12-27(4-2)13-6-11-24-18(29)14-28-15-25-21-19(22(28)30)20(26-31-21)16-7-9-17(23)10-8-16/h7-10,15H,3-6,11-14H2,1-2H3,(H,24,29)

InChI Key

SNVFEHRNLUNPLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.501

Distribution Coefficient, logD

-0.250

Water Solubility, LogSw

-3.70

Polar Surface Area

75.951

Acid Dissociation Constant (pKa)

15.94

Base Dissociation Constant (pKb)

10.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

C066-4619 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 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
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with C066-4619 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4619?
Check Price and Availability of C066-4619, 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 C066-4619 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4619
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4619
  • 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 C066-4619 available by request