4095-0084 Screening compound: 3-[diethyl(prop-2-yn-1-yl)azaniumyl]propane-1-sulfonate

4095-0084 Screening compound: 3-[diethyl(prop-2-yn-1-yl)azaniumyl]propane-1-sulfonate
4095-0084 Screening compound: 3-[diethyl(prop-2-yn-1-yl)azaniumyl]propane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4095-0084
3-[diethyl(prop-2-yn-1-yl)azaniumyl]propane-1-sulfonate

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

4095-0084

Molecular Formula

C10H19NO3S (C10 H19 NO3 S)

Compound Name

3-[diethyl(prop-2-yn-1-yl)azaniumyl]propane-1-sulfonate

IUPAC name

3-[diethyl(prop-2-yn-1-yl)azaniumyl]propane-1-sulfonate

SMILES

CC[N+](CC)(CCCS([O-])(=O)=O)CC#C

InChI

InChI=1S/C10H19NO3S/c1-4-8-11(5-2,6-3)9-7-10-15(12,13)14/h1H,5-10H2,2-3H3

InChI Key

XTPJLNSARGBDNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00455012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.349

Distribution Coefficient, logD

-0.349

Water Solubility, LogSw

-1.01

Polar Surface Area

43.784

Acid Dissociation Constant (pKa)

23.36

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

80.00

4095-0084 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4095-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4095-0084?
Check Price and Availability of 4095-0084, 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 4095-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4095-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4095-0084
  • 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 4095-0084 available by request