8015-6153 Screening compound: 5-[(1E)-2-(4-fluorophenyl)ethenyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole

8015-6153 Screening compound: 5-[(1E)-2-(4-fluorophenyl)ethenyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole
8015-6153 Screening compound: 5-[(1E)-2-(4-fluorophenyl)ethenyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6153
5-[(1E)-2-(4-fluorophenyl)ethenyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole

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

8015-6153

Molecular Formula

C20H14FN3O (C20 H14 FN3 O)

Compound Name

5-[(1E)-2-(4-fluorophenyl)ethenyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole

IUPAC name

5-[(1E)-2-(4-fluorophenyl)ethenyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-124-oxadiazole

SMILES

Fc1ccc(/C=C/c2nc(-c(cc3)ccc3-n3cccc3)no2)cc1

InChI

InChI=1S/C20H14FN3O/c21-17-8-3-15(4-9-17)5-12-19-22-20(23-25-19)16-6-10-18(11-7-16)24-13-1-2-14-24/h1-14H

InChI Key

BQBSTBYAQUWUNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05257122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.795

Distribution Coefficient, logD

5.795

Water Solubility, LogSw

-6.17

Polar Surface Area

35.296

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-5.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8015-6153 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8015-6153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6153?
Check Price and Availability of 8015-6153, 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 8015-6153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6153
  • 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 8015-6153 available by request