1080-0628 Screening compound: 7-[2-(4-bromophenyl)-2-oxoethyl]-6-phenyl-7H-imidazo[2,1-b][1,3]thiazol-4-ium

1080-0628 Screening compound: 7-[2-(4-bromophenyl)-2-oxoethyl]-6-phenyl-7H-imidazo[2,1-b][1,3]thiazol-4-ium
1080-0628 Screening compound: 7-[2-(4-bromophenyl)-2-oxoethyl]-6-phenyl-7H-imidazo[2,1-b][1,3]thiazol-4-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 1080-0628
7-[2-(4-bromophenyl)-2-oxoethyl]-6-phenyl-7H-imidazo[2,1-b][1,3]thiazol-4-ium

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

1080-0628

Molecular Formula

C19H14BrN2OS (C19 H14 BrN2 OS)

Compound Name

7-[2-(4-bromophenyl)-2-oxoethyl]-6-phenyl-7H-imidazo[2,1-b][1,3]thiazol-4-ium

IUPAC name

7-[2-(4-bromophenyl)-2-oxoethyl]-6-phenyl-7H-4lambda5-imidazo[21-b][13]thiazol-4-ylium

SMILES

O=C(Cn1c(scc2)[n+]2cc1-c1ccccc1)c(cc1)ccc1Br

InChI

InChI=1S/C19H14BrN2OS/c20-16-8-6-15(7-9-16)18(23)13-22-17(14-4-2-1-3-5-14)12-21-10-11-24-19(21)22/h1-12H,13H2/q+1

InChI Key

WECHHCVEPAXCDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01087951

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

398.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.961

Distribution Coefficient, logD

4.961

Water Solubility, LogSw

-4.89

Polar Surface Area

16.027

Acid Dissociation Constant (pKa)

16.27

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

1080-0628 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1080-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1080-0628?
Check Price and Availability of 1080-0628, 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 1080-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1080-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1080-0628
  • 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 1080-0628 available by request