8006-5419 Screening compound: N-(4-oxo-3-phenyl-1,3-thiazolan-2-yliden)cyanamide

8006-5419 Screening compound: N-(4-oxo-3-phenyl-1,3-thiazolan-2-yliden)cyanamide
8006-5419 Screening compound: N-(4-oxo-3-phenyl-1,3-thiazolan-2-yliden)cyanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5419
N-(4-oxo-3-phenyl-1,3-thiazolan-2-yliden)cyanamide

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

8006-5419

Molecular Formula

C10H7N3OS (C10 H7 N3 OS)

Compound Name

N-(4-oxo-3-phenyl-1,3-thiazolan-2-yliden)cyanamide

IUPAC name

{[(2E)-4-oxo-3-phenyl-13-thiazolidin-2-ylidene]amino}formonitrile

SMILES

N#C/N=C(\N1c2ccccc2)/SCC1=O

InChI

InChI=1S/C10H7N3OS/c11-7-12-10-13(9(14)6-15-10)8-4-2-1-3-5-8/h1-5H,6H2

InChI Key

ZYYQSTZPIKMJSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00714936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

217.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.198

Distribution Coefficient, logD

1.198

Water Solubility, LogSw

-1.97

Polar Surface Area

42.298

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

-5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8006-5419 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8006-5419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5419?
Check Price and Availability of 8006-5419, 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 8006-5419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5419
  • 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 8006-5419 available by request