G856-1681 Screening compound: 2-{[1-(3,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

G856-1681 Screening compound: 2-{[1-(3,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
G856-1681 Screening compound: 2-{[1-(3,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-1681
2-{[1-(3,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

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

G856-1681

Molecular Formula

C21H20N4OS2 (C21 H20 N4 OS2)

Compound Name

2-{[1-(3,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

IUPAC name

2-{[1-(35-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(6-methyl-13-benzothiazol-2-yl)acetamide

SMILES

Cc(cc1)cc2c1nc(NC(CSc1nccn1-c1cc(C)cc(C)c1)=O)s2

InChI

InChI=1S/C21H20N4OS2/c1-13-4-5-17-18(11-13)28-20(23-17)24-19(26)12-27-21-22-6-7-25(21)16-9-14(2)8-15(3)10-16/h4-11H,12H2,1-3H3,(H,23,24,26)

InChI Key

OJZWLXGPJZCTOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04461536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.526

Distribution Coefficient, logD

5.493

Water Solubility, LogSw

-5.31

Polar Surface Area

45.428

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G856-1681 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with G856-1681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-1681?
Check Price and Availability of G856-1681, 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 G856-1681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-1681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-1681
  • 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 G856-1681 available by request