D468-1965 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)pentanamide

D468-1965 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)pentanamide
D468-1965 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D468-1965
N-(2,1,3-benzothiadiazol-5-yl)pentanamide

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

D468-1965

Molecular Formula

C11H13N3OS (C11 H13 N3 OS)

Compound Name

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

IUPAC name

N-(213-benzothiadiazol-5-yl)pentanamide

SMILES

CCCCC(Nc1cc2nsnc2cc1)=O

InChI

InChI=1S/C11H13N3OS/c1-2-3-4-11(15)12-8-5-6-9-10(7-8)14-16-13-9/h5-7H,2-4H2,1H3,(H,12,15)

InChI Key

XYGHFJSZGKSZAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06762683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.985

Distribution Coefficient, logD

2.984

Water Solubility, LogSw

-3.34

Polar Surface Area

43.570

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D468-1965 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D468-1965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D468-1965?
Check Price and Availability of D468-1965, 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 D468-1965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D468-1965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D468-1965
  • 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 D468-1965 available by request