0701-0030 Screening compound: 3-phenyl-1,3-dihydro-2-benzofuran-1-one

0701-0030 Screening compound: 3-phenyl-1,3-dihydro-2-benzofuran-1-one
0701-0030 Screening compound: 3-phenyl-1,3-dihydro-2-benzofuran-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0701-0030
3-phenyl-1,3-dihydro-2-benzofuran-1-one

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

0701-0030

Molecular Formula

C14H10O2 (C14 H10 O2)

Compound Name

3-phenyl-1,3-dihydro-2-benzofuran-1-one

IUPAC name

3-phenyl-13-dihydro-2-benzofuran-1-one

SMILES

O=C(c1c2cccc1)OC2c1ccccc1

InChI

InChI=1S/C14H10O2/c15-14-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-9,13H/t13-/m0/s1

InChI Key

SQFMIHCARVMICF-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD00023099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

210.23

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.789

Distribution Coefficient, logD

2.789

Water Solubility, LogSw

-3.31

Polar Surface Area

21.773

Acid Dissociation Constant (pKa)

21.89

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

7.10

0701-0030 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Akt-Targeted Library (14764 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
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0701-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0701-0030?
Check Price and Availability of 0701-0030, 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 0701-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0701-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0701-0030
  • 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 0701-0030 available by request