D468-1963 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-2-methylpropanamide

D468-1963 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-2-methylpropanamide
D468-1963 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D468-1963
N-(2,1,3-benzothiadiazol-5-yl)-2-methylpropanamide

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

D468-1963

Molecular Formula

C10H11N3OS (C10 H11 N3 OS)

Compound Name

N-(2,1,3-benzothiadiazol-5-yl)-2-methylpropanamide

IUPAC name

N-(213-benzothiadiazol-5-yl)-2-methylpropanamide

SMILES

CC(C)C(Nc1cc2nsnc2cc1)=O

InChI

InChI=1S/C10H11N3OS/c1-6(2)10(14)11-7-3-4-8-9(5-7)13-15-12-8/h3-6H,1-2H3,(H,11,14)

InChI Key

SBXWRENPTMUDGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06762682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.637

Distribution Coefficient, logD

2.635

Water Solubility, LogSw

-3.20

Polar Surface Area

43.783

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D468-1963 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Fragments
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D468-1963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D468-1963?
Check Price and Availability of D468-1963, 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 D468-1963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D468-1963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D468-1963
  • 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 D468-1963 available by request