G786-0360 Screening compound: N~6~-[6-(acetylamino)-3-(2-methoxyethyl)-1,3-benzothiazol-2(3H)-yliden]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

G786-0360 Screening compound: N~6~-[6-(acetylamino)-3-(2-methoxyethyl)-1,3-benzothiazol-2(3H)-yliden]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
G786-0360 Screening compound: N~6~-[6-(acetylamino)-3-(2-methoxyethyl)-1,3-benzothiazol-2(3H)-yliden]-2,3-dihydro-1,4-benzodioxine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0360
N~6~-[6-(acetylamino)-3-(2-methoxyethyl)-1,3-benzothiazol-2(3H)-yliden]-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

G786-0360

Molecular Formula

C21H21N3O5S (C21 H21 N3 O5 S)

Compound Name

N~6~-[6-(acetylamino)-3-(2-methoxyethyl)-1,3-benzothiazol-2(3H)-yliden]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

IUPAC name

n/a

SMILES

CC(Nc(cc1)cc(S2)c1N(CCOC)/C2=N/C(c(cc1)cc2c1OCCO2)=O)=O

InChI

InChI=1S/C21H21N3O5S/c1-13(25)22-15-4-5-16-19(12-15)30-21(24(16)7-8-27-2)23-20(26)14-3-6-17-18(11-14)29-10-9-28-17/h3-6,11-12H,7-10H2,1-2H3,(H,22,25)

InChI Key

XAXLWFBCWOMDRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04431880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.609

Distribution Coefficient, logD

1.609

Water Solubility, LogSw

-2.37

Polar Surface Area

72.936

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G786-0360 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G786-0360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0360?
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What is the minimum amount of G786-0360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0360
  • 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 G786-0360 available by request