G786-0418 Screening compound: N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

G786-0418 Screening compound: N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
G786-0418 Screening compound: N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0418
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-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

G786-0418

Molecular Formula

C20H21N3O3S (C20 H21 N3 O3 S)

Compound Name

N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

IUPAC name

N-(13-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-23-dihydro-14-benzodioxine-6-carboxamide

SMILES

CN(C)CCN(C(c(cc1)cc2c1OCCO2)=O)c1nc(cccc2)c2s1

InChI

InChI=1S/C20H21N3O3S/c1-22(2)9-10-23(20-21-15-5-3-4-6-18(15)27-20)19(24)14-7-8-16-17(13-14)26-12-11-25-16/h3-8,13H,9-12H2,1-2H3

InChI Key

ROYFNOOQWFMDBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15036110

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.818

Distribution Coefficient, logD

2.573

Water Solubility, LogSw

-3.15

Polar Surface Area

45.064

Acid Dissociation Constant (pKa)

22.93

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

G786-0418 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS BBB Library (22607 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G786-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0418?
Check Price and Availability of G786-0418, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G786-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0418
  • 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 G786-0418 available by request