1752-0054 Screening compound: 4-(morpholin-4-yl)-1-phenylbut-2-yn-1-ol

1752-0054 Screening compound: 4-(morpholin-4-yl)-1-phenylbut-2-yn-1-ol
1752-0054 Screening compound: 4-(morpholin-4-yl)-1-phenylbut-2-yn-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1752-0054
4-(morpholin-4-yl)-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

1752-0054

Molecular Formula

C14H17NO2 (C14 H17 NO2)

Compound Name

4-(morpholin-4-yl)-1-phenylbut-2-yn-1-ol

IUPAC name

4-(morpholin-4-yl)-1-phenylbut-2-yn-1-ol

SMILES

OC(c1ccccc1)C#CCN1CCOCC1

InChI

InChI=1S/C14H17NO2/c16-14(13-5-2-1-3-6-13)7-4-8-15-9-11-17-12-10-15/h1-3,5-6,14,16H,8-12H2/t14-/m1/s1

InChI Key

FAIVFMWREWZJNR-CQSZACIVSA-N

MDL Number (MFCD)

MFCD00811797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

231.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.177

Distribution Coefficient, logD

1.175

Water Solubility, LogSw

-1.47

Polar Surface Area

28.010

Acid Dissociation Constant (pKa)

14.80

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

1752-0054 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 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 1752-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1752-0054?
Check Price and Availability of 1752-0054, 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 1752-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1752-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1752-0054
  • 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 1752-0054 available by request