C301-3881 Screening compound: ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetate

C301-3881 Screening compound: ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetate
C301-3881 Screening compound: ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-3881
ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetate

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

C301-3881

Molecular Formula

C12H12N2O3 (C12 H12 N2 O3)

Compound Name

ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetate

IUPAC name

ethyl 2-(5-phenyl-134-oxadiazol-2-yl)acetate

SMILES

CCOC(Cc1nnc(-c2ccccc2)o1)=O

InChI

InChI=1S/C12H12N2O3/c1-2-16-11(15)8-10-13-14-12(17-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChI Key

YKJVDQWRCAHJGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00101550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.772

Distribution Coefficient, logD

1.772

Water Solubility, LogSw

-1.96

Polar Surface Area

50.578

Acid Dissociation Constant (pKa)

19.85

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C301-3881 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C301-3881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3881?
Check Price and Availability of C301-3881, 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 C301-3881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3881
  • 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 C301-3881 available by request