8009-8104 Screening compound: 6-(diethylamino)hex-4-yn-3-yl acetate

8009-8104 Screening compound: 6-(diethylamino)hex-4-yn-3-yl acetate
8009-8104 Screening compound: 6-(diethylamino)hex-4-yn-3-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8104
6-(diethylamino)hex-4-yn-3-yl acetate

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

8009-8104

Molecular Formula

C12H21NO2 (C12 H21 NO2)

Compound Name

6-(diethylamino)hex-4-yn-3-yl acetate

IUPAC name

6-(diethylamino)hex-4-yn-3-yl acetate

SMILES

CCC(C#CCN(CC)CC)OC(C)=O

InChI

InChI=1S/C12H21NO2/c1-5-12(15-11(4)14)9-8-10-13(6-2)7-3/h12H,5-7,10H2,1-4H3/t12-/m0/s1

InChI Key

PVJSISAHRZNWAJ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD01820471

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

211.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.987

Distribution Coefficient, logD

1.548

Water Solubility, LogSw

-1.66

Polar Surface Area

24.222

Acid Dissociation Constant (pKa)

24.24

Base Dissociation Constant (pKb)

7.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

8009-8104 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8009-8104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8104?
Check Price and Availability of 8009-8104, 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 8009-8104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8104
  • 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 8009-8104 available by request