Y043-5872 Screening compound: (4-fluorophenyl)(5-hydroxy-1-benzofuran-3-yl)methanone

Y043-5872 Screening compound: (4-fluorophenyl)(5-hydroxy-1-benzofuran-3-yl)methanone
Y043-5872 Screening compound: (4-fluorophenyl)(5-hydroxy-1-benzofuran-3-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-5872
(4-fluorophenyl)(5-hydroxy-1-benzofuran-3-yl)methanone

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

Y043-5872

Molecular Formula

C15H9FO3 (C15 H9 FO3)

Compound Name

(4-fluorophenyl)(5-hydroxy-1-benzofuran-3-yl)methanone

IUPAC name

3-(4-fluorobenzoyl)-1-benzofuran-5-ol

SMILES

Oc(cc1)cc2c1occ2C(c(cc1)ccc1F)=O

InChI

InChI=1S/C15H9FO3/c16-10-3-1-9(2-4-10)15(18)13-8-19-14-6-5-11(17)7-12(13)14/h1-8,17H

InChI Key

PYUTWUDWRGHBJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00430817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.979

Distribution Coefficient, logD

2.934

Water Solubility, LogSw

-3.24

Polar Surface Area

40.882

Acid Dissociation Constant (pKa)

8.36

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y043-5872 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-5872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-5872?
Check Price and Availability of Y043-5872, 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 Y043-5872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-5872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-5872
  • 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 Y043-5872 available by request