3807-2769 Screening compound: dibutyl(4-hydroxybut-2-yn-1-yl)(3-phenylprop-2-yn-1-yl)azanium

3807-2769 Screening compound: dibutyl(4-hydroxybut-2-yn-1-yl)(3-phenylprop-2-yn-1-yl)azanium
3807-2769 Screening compound: dibutyl(4-hydroxybut-2-yn-1-yl)(3-phenylprop-2-yn-1-yl)azanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-2769
dibutyl(4-hydroxybut-2-yn-1-yl)(3-phenylprop-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

3807-2769

Molecular Formula

C21H30NO (C21 H30 NO)

Compound Name

dibutyl(4-hydroxybut-2-yn-1-yl)(3-phenylprop-2-yn-1-yl)azanium

IUPAC name

dibutyl(4-hydroxybut-2-yn-1-yl)(3-phenylprop-2-yn-1-yl)azanium

SMILES

CCCC[N+](CCCC)(CC#CCO)CC#Cc1ccccc1

InChI

InChI=1S/C21H30NO/c1-3-5-16-22(17-6-4-2,18-10-11-20-23)19-12-15-21-13-8-7-9-14-21/h7-9,13-14,23H,3-6,16-20H2,1-2H3/q+1

InChI Key

OKMGNOVOYCVMEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00749431

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

312.48

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.968

Distribution Coefficient, logD

4.968

Water Solubility, LogSw

-4.33

Polar Surface Area

17.616

Acid Dissociation Constant (pKa)

15.49

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

3807-2769 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 3807-2769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-2769?
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What is the minimum amount of 3807-2769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-2769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-2769
  • 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 3807-2769 available by request