C289-0900 Screening compound: ethyl 3-{3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamido}benzoate

C289-0900 Screening compound: ethyl 3-{3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamido}benzoate
C289-0900 Screening compound: ethyl 3-{3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C289-0900
ethyl 3-{3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamido}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

C289-0900

Molecular Formula

C20H18FN3O4 (C20 H18 FN3 O4)

Compound Name

ethyl 3-{3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamido}benzoate

IUPAC name

ethyl 3-{3-[3-(2-fluorophenyl)-124-oxadiazol-5-yl]propanamido}benzoate

SMILES

CCOC(c1cccc(NC(CCc2nc(-c(cccc3)c3F)no2)=O)c1)=O

InChI

InChI=1S/C20H18FN3O4/c1-2-27-20(26)13-6-5-7-14(12-13)22-17(25)10-11-18-23-19(24-28-18)15-8-3-4-9-16(15)21/h3-9,12H,2,10-11H2,1H3,(H,22,25)

InChI Key

QIASSPAVTLGYSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.192

Distribution Coefficient, logD

4.192

Water Solubility, LogSw

-4.25

Polar Surface Area

75.213

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C289-0900 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C289-0900 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C289-0900?
Check Price and Availability of C289-0900, 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 C289-0900 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C289-0900
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C289-0900
  • 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 C289-0900 available by request