F531-0513 Screening compound: 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(3,4,5-trimethoxybenzoyl)piperazine

F531-0513 Screening compound: 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(3,4,5-trimethoxybenzoyl)piperazine
F531-0513 Screening compound: 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(3,4,5-trimethoxybenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound F531-0513
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(3,4,5-trimethoxybenzoyl)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

F531-0513

Molecular Formula

C25H28N4O5 (C25 H28 N4 O5)

Compound Name

1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(3,4,5-trimethoxybenzoyl)piperazine

IUPAC name

1-[4-(5-cyclopropyl-124-oxadiazol-3-yl)phenyl]-4-(345-trimethoxybenzoyl)piperazine

SMILES

COc1cc(C(N(CC2)CCN2c(cc2)ccc2-c2noc(C3CC3)n2)=O)cc(OC)c1OC

InChI

InChI=1S/C25H28N4O5/c1-31-20-14-18(15-21(32-2)22(20)33-3)25(30)29-12-10-28(11-13-29)19-8-6-16(7-9-19)23-26-24(34-27-23)17-4-5-17/h6-9,14-15,17H,4-5,10-13H2,1-3H3

InChI Key

YJEHSRMEUMNIEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27172813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.017

Distribution Coefficient, logD

4.017

Water Solubility, LogSw

-4.22

Polar Surface Area

75.054

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

F531-0513 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F531-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F531-0513?
Check Price and Availability of F531-0513, 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 F531-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F531-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F531-0513
  • 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 F531-0513 available by request