1080-0625 Screening compound: 1-(4-ethylphenyl)-2-[2-imino-1,3-thiazol-3(2H)-yl]-1-ethanone

1080-0625 Screening compound: 1-(4-ethylphenyl)-2-[2-imino-1,3-thiazol-3(2H)-yl]-1-ethanone
1080-0625 Screening compound: 1-(4-ethylphenyl)-2-[2-imino-1,3-thiazol-3(2H)-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 1080-0625
1-(4-ethylphenyl)-2-[2-imino-1,3-thiazol-3(2H)-yl]-1-ethanone

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

1080-0625

Molecular Formula

C13H14N2OS (C13 H14 N2 OS)

Compound Name

1-(4-ethylphenyl)-2-[2-imino-1,3-thiazol-3(2H)-yl]-1-ethanone

IUPAC name

n/a

SMILES

CCc(cc1)ccc1C(CN(C=CS1)C1=N)=O

InChI

InChI=1S/C13H14N2OS/c1-2-10-3-5-11(6-4-10)12(16)9-15-7-8-17-13(15)14/h3-8,14H,2,9H2,1H3

InChI Key

MGFAHTMHQRYOMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00442517

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

246.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.267

Distribution Coefficient, logD

2.264

Water Solubility, LogSw

-2.69

Polar Surface Area

34.055

Acid Dissociation Constant (pKa)

25.62

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

1080-0625 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1080-0625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1080-0625?
Check Price and Availability of 1080-0625, 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 1080-0625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1080-0625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1080-0625
  • 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 1080-0625 available by request