3807-2746 Screening compound: benzyl(methyl)(pent-4-en-2-yn-1-yl)(prop-2-yn-1-yl)azanium

3807-2746 Screening compound: benzyl(methyl)(pent-4-en-2-yn-1-yl)(prop-2-yn-1-yl)azanium
3807-2746 Screening compound: benzyl(methyl)(pent-4-en-2-yn-1-yl)(prop-2-yn-1-yl)azanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-2746
benzyl(methyl)(pent-4-en-2-yn-1-yl)(prop-2-yn-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

3807-2746

Molecular Formula

C16H18N (C16 H18 N)

Compound Name

benzyl(methyl)(pent-4-en-2-yn-1-yl)(prop-2-yn-1-yl)azanium

IUPAC name

benzyl(methyl)(pent-4-en-2-yn-1-yl)(prop-2-yn-1-yl)azanium

SMILES

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

InChI

InChI=1S/C16H18N/c1-4-6-10-14-17(3,13-5-2)15-16-11-8-7-9-12-16/h2,4,7-9,11-12H,1,13-15H2,3H3/q+1/t17-/m0/s1

InChI Key

DCWQKCLEHGONRL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00995691

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

224.33

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

3.306

Distribution Coefficient, logD

3.306

Water Solubility, LogSw

-3.34

Polar Surface Area

0.958

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

3807-2746 in Drug Discovery

Included in Screening Libraries

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 3807-2746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-2746?
Check Price and Availability of 3807-2746, 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 3807-2746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-2746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-2746
  • 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 3807-2746 available by request