7541-0092 Screening compound: methyl 5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylate

7541-0092 Screening compound: methyl 5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylate
7541-0092 Screening compound: methyl 5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7541-0092
methyl 5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylate

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

7541-0092

Molecular Formula

C11H10N2O3 (C11 H10 N2 O3)

Compound Name

methyl 5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylate

IUPAC name

methyl 5-(4-methylphenyl)-124-oxadiazole-3-carboxylate

SMILES

Cc(cc1)ccc1-c1nc(C(OC)=O)no1

InChI

InChI=1S/C11H10N2O3/c1-7-3-5-8(6-4-7)10-12-9(13-16-10)11(14)15-2/h3-6H,1-2H3

InChI Key

QRHSICZFFVWIJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04125935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.582

Distribution Coefficient, logD

2.582

Water Solubility, LogSw

-2.73

Polar Surface Area

53.090

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

-8.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

7541-0092 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Selective Target Activity Profiling Library (14702 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
  • Fragments
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7541-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7541-0092?
Check Price and Availability of 7541-0092, 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 7541-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7541-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7541-0092
  • 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 7541-0092 available by request