G786-0318 Screening compound: N-[(2Z)-3-ethyl-4-methoxy-7-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

G786-0318 Screening compound: N-[(2Z)-3-ethyl-4-methoxy-7-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
G786-0318 Screening compound: N-[(2Z)-3-ethyl-4-methoxy-7-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 G786-0318
N-[(2Z)-3-ethyl-4-methoxy-7-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

G786-0318

Molecular Formula

C20H20N2O4S (C20 H20 N2 O4 S)

Compound Name

N-[(2Z)-3-ethyl-4-methoxy-7-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

IUPAC name

N-[(2Z)-3-ethyl-4-methoxy-7-methyl-23-dihydro-13-benzothiazol-2-ylidene]-23-dihydro-14-benzodioxine-6-carboxamide

SMILES

CCN(c(c(S1)c(C)cc2)c2OC)/C1=N/C(c(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C20H20N2O4S/c1-4-22-17-15(24-3)7-5-12(2)18(17)27-20(22)21-19(23)13-6-8-14-16(11-13)26-10-9-25-14/h5-8,11H,4,9-10H2,1-3H3

InChI Key

OJTYKTJZWWKXNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04995644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.006

Distribution Coefficient, logD

3.006

Water Solubility, LogSw

-3.12

Polar Surface Area

49.866

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

G786-0318 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G786-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0318?
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What is the minimum amount of G786-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0318
  • 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 G786-0318 available by request