G856-9186 Screening compound: 2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole

G856-9186 Screening compound: 2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole
G856-9186 Screening compound: 2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-9186
2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole

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

G856-9186

Molecular Formula

C18H21N3O4S (C18 H21 N3 O4 S)

Compound Name

2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole

IUPAC name

2-[4-(56-dihydro-14-dioxine-2-carbonyl)piperazin-1-yl]-4-methoxy-7-methyl-13-benzothiazole

SMILES

Cc(cc1)c2sc(N(CC3)CCN3C(C3=COCCO3)=O)nc2c1OC

InChI

InChI=1S/C18H21N3O4S/c1-12-3-4-13(23-2)15-16(12)26-18(19-15)21-7-5-20(6-8-21)17(22)14-11-24-9-10-25-14/h3-4,11H,5-10H2,1-2H3

InChI Key

KTQVNXWGDAOTDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07646803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.343

Distribution Coefficient, logD

2.343

Water Solubility, LogSw

-2.46

Polar Surface Area

55.495

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

G856-9186 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G856-9186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-9186?
Check Price and Availability of G856-9186, 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 G856-9186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-9186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-9186
  • 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 G856-9186 available by request