G786-0390 Screening compound: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

G786-0390 Screening compound: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
G786-0390 Screening compound: N-(6-fluoro-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 G786-0390
N-(6-fluoro-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

G786-0390

Molecular Formula

C22H16FN3O3S (C22 H16 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H16FN3O3S/c23-16-4-5-17-20(11-16)30-22(25-17)26(13-14-2-1-7-24-12-14)21(27)15-3-6-18-19(10-15)29-9-8-28-18/h1-7,10-12H,8-9,13H2

InChI Key

AWASAWATEZGCQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06715082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.45

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

3.249

Distribution Coefficient, logD

3.248

Water Solubility, LogSw

-3.16

Polar Surface Area

50.466

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G786-0390 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Annotated Library (21441 compounds)

CNS Targets (44014 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G786-0390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0390?
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What is the minimum amount of G786-0390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0390
  • 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 G786-0390 available by request