2331-0533 Screening compound: 4-{3-phenyl-3H-benzo[f]chromen-3-yl}phenol

2331-0533 Screening compound: 4-{3-phenyl-3H-benzo[f]chromen-3-yl}phenol
2331-0533 Screening compound: 4-{3-phenyl-3H-benzo[f]chromen-3-yl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2331-0533
4-{3-phenyl-3H-benzo[f]chromen-3-yl}phenol

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

2331-0533

Molecular Formula

C25H18O2 (C25 H18 O2)

Compound Name

4-{3-phenyl-3H-benzo[f]chromen-3-yl}phenol

IUPAC name

4-{3-phenyl-3H-benzo[f]chromen-3-yl}phenol

SMILES

Oc1ccc(C(C=C2)(c3ccccc3)Oc3c2c2ccccc2cc3)cc1

InChI

InChI=1S/C25H18O2/c26-21-13-11-20(12-14-21)25(19-7-2-1-3-8-19)17-16-23-22-9-5-4-6-18(22)10-15-24(23)27-25/h1-17,26H/t25-/m0/s1

InChI Key

ZJOYOPXQYCNQDX-VWLOTQADSA-N

MDL Number (MFCD)

MFCD01817576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.074

Distribution Coefficient, logD

6.073

Water Solubility, LogSw

-7.09

Polar Surface Area

23.278

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.00

2331-0533 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2331-0533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2331-0533?
Check Price and Availability of 2331-0533, 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 2331-0533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2331-0533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2331-0533
  • 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 2331-0533 available by request