G856-7046 Screening compound: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-5,6-dihydro-1,4-dioxine-2-carboxamide

G856-7046 Screening compound: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-5,6-dihydro-1,4-dioxine-2-carboxamide
G856-7046 Screening compound: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-5,6-dihydro-1,4-dioxine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-7046
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-5,6-dihydro-1,4-dioxine-2-carboxamide

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

G856-7046

Molecular Formula

C20H19N3O3S (C20 H19 N3 O3 S)

Compound Name

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-5,6-dihydro-1,4-dioxine-2-carboxamide

IUPAC name

N-(45-dimethyl-13-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-56-dihydro-14-dioxine-2-carboxamide

SMILES

Cc(cc1)c(C)c2c1sc(N(Cc1cnccc1)C(C1=COCCO1)=O)n2

InChI

InChI=1S/C20H19N3O3S/c1-13-5-6-17-18(14(13)2)22-20(27-17)23(11-15-4-3-7-21-10-15)19(24)16-12-25-8-9-26-16/h3-7,10,12H,8-9,11H2,1-2H3

InChI Key

HOJQMLPWONIODS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06716776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.159

Distribution Coefficient, logD

3.159

Water Solubility, LogSw

-2.73

Polar Surface Area

52.825

Acid Dissociation Constant (pKa)

19.31

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G856-7046 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Others
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G856-7046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-7046?
Check Price and Availability of G856-7046, 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 G856-7046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-7046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-7046
  • 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 G856-7046 available by request