F545-1048 Screening compound: ethyl 4-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzamido]benzoate

F545-1048 Screening compound: ethyl 4-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzamido]benzoate
F545-1048 Screening compound: ethyl 4-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F545-1048
ethyl 4-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzamido]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

F545-1048

Molecular Formula

C22H21N3O4 (C22 H21 N3 O4)

Compound Name

ethyl 4-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzamido]benzoate

IUPAC name

ethyl 4-[3-(5-cyclobutyl-124-oxadiazol-3-yl)benzamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(c1cc(-c2noc(C3CCC3)n2)ccc1)=O)=O

InChI

InChI=1S/C22H21N3O4/c1-2-28-22(27)15-9-11-18(12-10-15)23-20(26)17-8-4-7-16(13-17)19-24-21(29-25-19)14-5-3-6-14/h4,7-14H,2-3,5-6H2,1H3,(H,23,26)

InChI Key

HVHRLJKHFUDKGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27175433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.012

Distribution Coefficient, logD

5.010

Water Solubility, LogSw

-4.67

Polar Surface Area

76.012

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

-3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

F545-1048 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F545-1048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F545-1048?
Check Price and Availability of F545-1048, 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 F545-1048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F545-1048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F545-1048
  • 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 F545-1048 available by request