C289-0650 Screening compound: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

C289-0650 Screening compound: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
C289-0650 Screening compound: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C289-0650
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-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

C289-0650

Molecular Formula

C24H28N4O2 (C24 H28 N4 O2)

Compound Name

1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

IUPAC name

1-[4-(25-dimethylphenyl)piperazin-1-yl]-3-[3-(4-methylphenyl)-124-oxadiazol-5-yl]propan-1-one

SMILES

Cc(cc1)ccc1-c1noc(CCC(N(CC2)CCN2c2c(C)ccc(C)c2)=O)n1

InChI

InChI=1S/C24H28N4O2/c1-17-5-8-20(9-6-17)24-25-22(30-26-24)10-11-23(29)28-14-12-27(13-15-28)21-16-18(2)4-7-19(21)3/h4-9,16H,10-15H2,1-3H3

InChI Key

KXNIJBCSVPJSOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.213

Distribution Coefficient, logD

5.213

Water Solubility, LogSw

-4.99

Polar Surface Area

50.662

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C289-0650 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C289-0650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C289-0650?
Check Price and Availability of C289-0650, 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 C289-0650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C289-0650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C289-0650
  • 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 C289-0650 available by request