8009-2655 Screening compound: 4-(4-fluorophenyl)-1,1-diphenylbut-2-yne-1,4-diol

8009-2655 Screening compound: 4-(4-fluorophenyl)-1,1-diphenylbut-2-yne-1,4-diol
8009-2655 Screening compound: 4-(4-fluorophenyl)-1,1-diphenylbut-2-yne-1,4-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2655
4-(4-fluorophenyl)-1,1-diphenylbut-2-yne-1,4-diol

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

8009-2655

Molecular Formula

C22H17FO2 (C22 H17 FO2)

Compound Name

4-(4-fluorophenyl)-1,1-diphenylbut-2-yne-1,4-diol

IUPAC name

4-(4-fluorophenyl)-11-diphenylbut-2-yne-14-diol

SMILES

OC(c(cc1)ccc1F)C#CC(c1ccccc1)(c1ccccc1)O

InChI

InChI=1S/C22H17FO2/c23-20-13-11-17(12-14-20)21(24)15-16-22(25,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,21,24-25H/t21-/m1/s1

InChI Key

YQNRWDFBGOHZLY-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD01572690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.920

Distribution Coefficient, logD

3.920

Water Solubility, LogSw

-4.01

Polar Surface Area

31.383

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.09

8009-2655 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8009-2655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2655?
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What is the minimum amount of 8009-2655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2655
  • 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 8009-2655 available by request