G786-0316 Screening compound: N-[(2E)-4,6-difluoro-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

G786-0316 Screening compound: N-[(2E)-4,6-difluoro-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
G786-0316 Screening compound: N-[(2E)-4,6-difluoro-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0316
N-[(2E)-4,6-difluoro-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-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

G786-0316

Molecular Formula

C17H12F2N2O3S (C17 H12 F2 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CN(c(c(F)cc(F)c1)c1S1)/C1=N\C(c(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C17H12F2N2O3S/c1-21-15-11(19)7-10(18)8-14(15)25-17(21)20-16(22)9-2-3-12-13(6-9)24-5-4-23-12/h2-3,6-8H,4-5H2,1H3

InChI Key

UYYZWELOJQPEKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04994344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.344

Distribution Coefficient, logD

2.344

Water Solubility, LogSw

-2.81

Polar Surface Area

42.276

Acid Dissociation Constant (pKa)

30.69

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

G786-0316 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with G786-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0316?
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What is the minimum amount of G786-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0316
  • 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 G786-0316 available by request