0478-0686 Screening compound: N-(6-nitro-1,3-benzothiazol-2-yl)acetamide

0478-0686 Screening compound: N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
0478-0686 Screening compound: N-(6-nitro-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0478-0686
N-(6-nitro-1,3-benzothiazol-2-yl)acetamide

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

0478-0686

Molecular Formula

C9H7N3O3S (C9 H7 N3 O3 S)

Compound Name

N-(6-nitro-1,3-benzothiazol-2-yl)acetamide

IUPAC name

N-(6-nitro-13-benzothiazol-2-yl)acetamide

SMILES

CC(Nc1nc(ccc([N+]([O-])=O)c2)c2s1)=O

InChI

InChI=1S/C9H7N3O3S/c1-5(13)10-9-11-7-3-2-6(12(14)15)4-8(7)16-9/h2-4H,1H3,(H,10,11,13)

InChI Key

XARDSBCDZPSYTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00036047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.270

Distribution Coefficient, logD

2.270

Water Solubility, LogSw

-2.97

Polar Surface Area

66.643

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

0478-0686 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0478-0686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0478-0686?
Check Price and Availability of 0478-0686, 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 0478-0686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0478-0686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0478-0686
  • 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 0478-0686 available by request