G786-0396 Screening compound: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

G786-0396 Screening compound: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
G786-0396 Screening compound: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0396
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-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

G786-0396

Molecular Formula

C22H15F2N3O3S (C22 H15 F2 N3 O3 S)

Compound Name

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

IUPAC name

N-(46-difluoro-13-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-23-dihydro-14-benzodioxine-6-carboxamide

SMILES

O=C(c(cc1)cc2c1OCCO2)N(Cc1cnccc1)c1nc(c(F)cc(F)c2)c2s1

InChI

InChI=1S/C22H15F2N3O3S/c23-15-9-16(24)20-19(10-15)31-22(26-20)27(12-13-2-1-5-25-11-13)21(28)14-3-4-17-18(8-14)30-7-6-29-17/h1-5,8-11H,6-7,12H2

InChI Key

MHKKQANWJIUVSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06717368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.44

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

3.377

Distribution Coefficient, logD

3.377

Water Solubility, LogSw

-3.42

Polar Surface Area

51.236

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G786-0396 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G786-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0396?
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What is the minimum amount of G786-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0396
  • 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 G786-0396 available by request