4782-0235 Screening compound: 4-(diethylamino)-1-(3-fluorophenyl)-1-phenylbut-2-yn-1-ol

4782-0235 Screening compound: 4-(diethylamino)-1-(3-fluorophenyl)-1-phenylbut-2-yn-1-ol
4782-0235 Screening compound: 4-(diethylamino)-1-(3-fluorophenyl)-1-phenylbut-2-yn-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4782-0235
4-(diethylamino)-1-(3-fluorophenyl)-1-phenylbut-2-yn-1-ol

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

4782-0235

Molecular Formula

C20H22FNO (C20 H22 FNO)

Compound Name

4-(diethylamino)-1-(3-fluorophenyl)-1-phenylbut-2-yn-1-ol

IUPAC name

4-(diethylamino)-1-(3-fluorophenyl)-1-phenylbut-2-yn-1-ol

SMILES

CCN(CC)CC#CC(c1ccccc1)(c1cccc(F)c1)O

InChI

InChI=1S/C20H22FNO/c1-3-22(4-2)15-9-14-20(23,17-10-6-5-7-11-17)18-12-8-13-19(21)16-18/h5-8,10-13,16,23H,3-4,15H2,1-2H3/t20-/m0/s1

InChI Key

AMRGNGVPYMRCEU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01859430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.078

Distribution Coefficient, logD

3.713

Water Solubility, LogSw

-4.05

Polar Surface Area

18.914

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

7.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

4782-0235 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4782-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4782-0235?
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What is the minimum amount of 4782-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4782-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4782-0235
  • 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 4782-0235 available by request