Y042-3139 Screening compound: 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid

Y042-3139 Screening compound: 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid
Y042-3139 Screening compound: 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3139
3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid

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

Y042-3139

Molecular Formula

C11H10N2O3 (C11 H10 N2 O3)

Compound Name

3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid

IUPAC name

3-(5-phenyl-134-oxadiazol-2-yl)propanoic acid

SMILES

OC(CCc1nnc(-c2ccccc2)o1)=O

InChI

InChI=1S/C11H10N2O3/c14-10(15)7-6-9-12-13-11(16-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)

InChI Key

CUYMDSTYUZAYFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01244502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.175

Distribution Coefficient, logD

-1.665

Water Solubility, LogSw

-1.60

Polar Surface Area

58.804

Acid Dissociation Constant (pKa)

4.56

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

Y042-3139 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Structure:
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y042-3139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3139?
Check Price and Availability of Y042-3139, 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 Y042-3139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3139
  • 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 Y042-3139 available by request