5047-1667 Screening compound: 3-(2-chlorophenyl)-N-(6-methoxyquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide

5047-1667 Screening compound: 3-(2-chlorophenyl)-N-(6-methoxyquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide
5047-1667 Screening compound: 3-(2-chlorophenyl)-N-(6-methoxyquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5047-1667
3-(2-chlorophenyl)-N-(6-methoxyquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide

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

5047-1667

Molecular Formula

C21H16ClN3O3 (C21 H16 ClN3 O3)

Compound Name

3-(2-chlorophenyl)-N-(6-methoxyquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide

IUPAC name

3-(2-chlorophenyl)-N-(6-methoxyquinolin-8-yl)-5-methyl-12-oxazole-4-carboxamide

SMILES

Cc1c(C(Nc2cc(OC)cc3cccnc23)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C21H16ClN3O3/c1-12-18(20(25-28-12)15-7-3-4-8-16(15)22)21(26)24-17-11-14(27-2)10-13-6-5-9-23-19(13)17/h3-11H,1-2H3,(H,24,26)

InChI Key

QBBZDMJXFIUUTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03715675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.215

Distribution Coefficient, logD

4.207

Water Solubility, LogSw

-4.72

Polar Surface Area

61.669

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

5.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

5047-1667 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

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

CNS Targets (44014 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 5047-1667 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5047-1667?
Check Price and Availability of 5047-1667, 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 5047-1667 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5047-1667
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5047-1667
  • 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 5047-1667 available by request