4636-0046 Screening compound: 4,4-bis(3-phenylprop-2-yn-1-yl)morpholin-4-ium

4636-0046 Screening compound: 4,4-bis(3-phenylprop-2-yn-1-yl)morpholin-4-ium
4636-0046 Screening compound: 4,4-bis(3-phenylprop-2-yn-1-yl)morpholin-4-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4636-0046
4,4-bis(3-phenylprop-2-yn-1-yl)morpholin-4-ium

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

4636-0046

Molecular Formula

C22H22NO (C22 H22 NO)

Compound Name

4,4-bis(3-phenylprop-2-yn-1-yl)morpholin-4-ium

IUPAC name

44-bis(3-phenylprop-2-yn-1-yl)morpholin-4-ium

SMILES

C(C#Cc1ccccc1)[N+]1(CC#Cc2ccccc2)CCOCC1

InChI

InChI=1S/C22H22NO/c1-3-9-21(10-4-1)13-7-15-23(17-19-24-20-18-23)16-8-14-22-11-5-2-6-12-22/h1-6,9-12H,15-20H2/q+1

InChI Key

OYTHDFVBFKVFLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00605637

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

316.42

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.470

Distribution Coefficient, logD

4.470

Water Solubility, LogSw

-4.37

Polar Surface Area

8.752

Acid Dissociation Constant (pKa)

27.45

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

4636-0046 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4636-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4636-0046?
Check Price and Availability of 4636-0046, 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 4636-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4636-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4636-0046
  • 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 4636-0046 available by request