F531-0905 Screening compound: 1-(5-bromofuran-2-carbonyl)-4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine

F531-0905 Screening compound: 1-(5-bromofuran-2-carbonyl)-4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine
F531-0905 Screening compound: 1-(5-bromofuran-2-carbonyl)-4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound F531-0905
1-(5-bromofuran-2-carbonyl)-4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine

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

F531-0905

Molecular Formula

C21H21BrN4O3 (C21 H21 BrN4 O3)

Compound Name

1-(5-bromofuran-2-carbonyl)-4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine

IUPAC name

1-(5-bromofuran-2-carbonyl)-4-[4-(5-cyclobutyl-124-oxadiazol-3-yl)phenyl]piperazine

SMILES

O=C(c(o1)ccc1Br)N(CC1)CCN1c(cc1)ccc1-c1noc(C2CCC2)n1

InChI

InChI=1S/C21H21BrN4O3/c22-18-9-8-17(28-18)21(27)26-12-10-25(11-13-26)16-6-4-14(5-7-16)19-23-20(29-24-19)15-2-1-3-15/h4-9,15H,1-3,10-13H2

InChI Key

ZPZNCZXWQFUFDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27172868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.460

Distribution Coefficient, logD

4.460

Water Solubility, LogSw

-4.38

Polar Surface Area

61.002

Acid Dissociation Constant (pKa)

26.82

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

F531-0905 in Drug Discovery

Included in Screening Libraries

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F531-0905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F531-0905?
Check Price and Availability of F531-0905, 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 F531-0905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F531-0905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F531-0905
  • 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 F531-0905 available by request