F531-0459 Screening compound: 4-{4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl}-1-(3,4-dimethylphenyl)pyrrolidin-2-one

F531-0459 Screening compound: 4-{4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl}-1-(3,4-dimethylphenyl)pyrrolidin-2-one
F531-0459 Screening compound: 4-{4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl}-1-(3,4-dimethylphenyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F531-0459
4-{4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl}-1-(3,4-dimethylphenyl)pyrrolidin-2-one

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

F531-0459

Molecular Formula

C28H31N5O3 (C28 H31 N5 O3)

Compound Name

4-{4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl}-1-(3,4-dimethylphenyl)pyrrolidin-2-one

IUPAC name

4-{4-[4-(5-cyclopropyl-124-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl}-1-(34-dimethylphenyl)pyrrolidin-2-one

SMILES

Cc(cc1)c(C)cc1N(CC(C1)C(N(CC2)CCN2c(cc2)ccc2-c2noc(C3CC3)n2)=O)C1=O

InChI

InChI=1S/C28H31N5O3/c1-18-3-8-24(15-19(18)2)33-17-22(16-25(33)34)28(35)32-13-11-31(12-14-32)23-9-6-20(7-10-23)26-29-27(36-30-26)21-4-5-21/h3,6-10,15,21-22H,4-5,11-14,16-17H2,1-2H3/t22-/m1/s1

InChI Key

YGBMBFSPNADEEI-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14958235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.114

Distribution Coefficient, logD

5.114

Water Solubility, LogSw

-4.99

Polar Surface Area

68.826

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

F531-0459 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F531-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F531-0459?
Check Price and Availability of F531-0459, 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 F531-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F531-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F531-0459
  • 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 F531-0459 available by request