4636-0028 Screening compound: dimethyl(1-phenylhex-5-en-1-yn-3-yl)(prop-2-en-1-yl)azanium

4636-0028 Screening compound: dimethyl(1-phenylhex-5-en-1-yn-3-yl)(prop-2-en-1-yl)azanium
4636-0028 Screening compound: dimethyl(1-phenylhex-5-en-1-yn-3-yl)(prop-2-en-1-yl)azanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4636-0028
dimethyl(1-phenylhex-5-en-1-yn-3-yl)(prop-2-en-1-yl)azanium

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

4636-0028

Molecular Formula

C17H22N (C17 H22 N)

Compound Name

dimethyl(1-phenylhex-5-en-1-yn-3-yl)(prop-2-en-1-yl)azanium

IUPAC name

dimethyl(1-phenylhex-5-en-1-yn-3-yl)(prop-2-en-1-yl)azanium

SMILES

C[N+](C)(CC=C)C(CC=C)C#Cc1ccccc1

InChI

InChI=1S/C17H22N/c1-5-10-17(18(3,4)15-6-2)14-13-16-11-8-7-9-12-16/h5-9,11-12,17H,1-2,10,15H2,3-4H3/q+1/t17-/m0/s1

InChI Key

DYTTXXJDSOOLPC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00995685

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

240.37

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

4.149

Distribution Coefficient, logD

4.149

Water Solubility, LogSw

-4.18

Polar Surface Area

-0.695

Acid Dissociation Constant (pKa)

26.75

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

4636-0028 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4636-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4636-0028?
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What is the minimum amount of 4636-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4636-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4636-0028
  • 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 4636-0028 available by request