8020-5514 Screening compound: 1-cyano-3-oxo-3-(2-thienyl)propyl cyanide

8020-5514 Screening compound: 1-cyano-3-oxo-3-(2-thienyl)propyl cyanide
8020-5514 Screening compound: 1-cyano-3-oxo-3-(2-thienyl)propyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5514
1-cyano-3-oxo-3-(2-thienyl)propyl cyanide

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

8020-5514

Molecular Formula

C9H6N2OS (C9 H6 N2 OS)

Compound Name

1-cyano-3-oxo-3-(2-thienyl)propyl cyanide

IUPAC name

n/a

SMILES

N#CC(CC(c1cccs1)=O)C#N

InChI

InChI=1S/C9H6N2OS/c10-5-7(6-11)4-8(12)9-2-1-3-13-9/h1-3,7H,4H2

InChI Key

UXFNCPLEBYWIGY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

190.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.968

Distribution Coefficient, logD

1.968

Water Solubility, LogSw

-2.42

Polar Surface Area

48.616

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

-5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 8020-5514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5514?
Check Price and Availability of 8020-5514, 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 8020-5514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5514
  • 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 8020-5514 available by request