G856-6893 Screening compound: N-(6-methyl-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

G856-6893 Screening compound: N-(6-methyl-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
G856-6893 Screening compound: N-(6-methyl-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-6893
N-(6-methyl-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-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

G856-6893

Molecular Formula

C23H19N3O3S (C23 H19 N3 O3 S)

Compound Name

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

IUPAC name

N-(6-methyl-13-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-23-dihydro-14-benzodioxine-2-carboxamide

SMILES

Cc(cc1)cc2c1nc(N(Cc1cnccc1)C(C1Oc(cccc3)c3OC1)=O)s2

InChI

InChI=1S/C23H19N3O3S/c1-15-8-9-17-21(11-15)30-23(25-17)26(13-16-5-4-10-24-12-16)22(27)20-14-28-18-6-2-3-7-19(18)29-20/h2-12,20H,13-14H2,1H3/t20-/m0/s1

InChI Key

WYYKGYLFLBDUCM-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06714730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.49

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

4.581

Distribution Coefficient, logD

4.577

Water Solubility, LogSw

-4.25

Polar Surface Area

50.080

Acid Dissociation Constant (pKa)

20.70

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

G856-6893 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G856-6893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-6893?
Check Price and Availability of G856-6893, 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 G856-6893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-6893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-6893
  • 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 G856-6893 available by request