F545-1054 Screening compound: 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-cyclopropylbenzamide

F545-1054 Screening compound: 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-cyclopropylbenzamide
F545-1054 Screening compound: 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-cyclopropylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F545-1054
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-cyclopropylbenzamide

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

F545-1054

Molecular Formula

C16H17N3O2 (C16 H17 N3 O2)

Compound Name

3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-cyclopropylbenzamide

IUPAC name

3-(5-cyclobutyl-124-oxadiazol-3-yl)-N-cyclopropylbenzamide

SMILES

O=C(c1cc(-c2noc(C3CCC3)n2)ccc1)NC1CC1

InChI

InChI=1S/C16H17N3O2/c20-15(17-13-7-8-13)12-6-2-5-11(9-12)14-18-16(21-19-14)10-3-1-4-10/h2,5-6,9-10,13H,1,3-4,7-8H2,(H,17,20)

InChI Key

AWGHNCBGVBDWTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27175436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.022

Distribution Coefficient, logD

3.022

Water Solubility, LogSw

-3.29

Polar Surface Area

56.637

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

-3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

F545-1054 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with F545-1054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F545-1054?
Check Price and Availability of F545-1054, 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 F545-1054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F545-1054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F545-1054
  • 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 F545-1054 available by request