8004-8016 Screening compound: 3-{bis[2-(allyloxy)ethyl]amino}-6-nitro-1H-1,2-benzisothiazole-1,1-dione

8004-8016 Screening compound: 3-{bis[2-(allyloxy)ethyl]amino}-6-nitro-1H-1,2-benzisothiazole-1,1-dione
8004-8016 Screening compound: 3-{bis[2-(allyloxy)ethyl]amino}-6-nitro-1H-1,2-benzisothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-8016
3-{bis[2-(allyloxy)ethyl]amino}-6-nitro-1H-1,2-benzisothiazole-1,1-dione

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

8004-8016

Molecular Formula

C17H21N3O6S (C17 H21 N3 O6 S)

Compound Name

3-{bis[2-(allyloxy)ethyl]amino}-6-nitro-1H-1,2-benzisothiazole-1,1-dione

IUPAC name

3-{bis[2-(prop-2-en-1-yloxy)ethyl]amino}-6-nitro-1lambda62-benzothiazole-11-dione

SMILES

C=CCOCCN(CCOCC=C)C(c(cc1)c2cc1[N+]([O-])=O)=NS2(=O)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.117

Distribution Coefficient, logD

2.117

Water Solubility, LogSw

-2.89

Polar Surface Area

92.846

Acid Dissociation Constant (pKa)

28.83

Base Dissociation Constant (pKb)

-4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

8004-8016 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8004-8016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-8016?
Check Price and Availability of 8004-8016, 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 8004-8016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-8016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-8016
  • 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 8004-8016 available by request