D468-2050 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

D468-2050 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
D468-2050 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D468-2050
N-(2,1,3-benzothiadiazol-5-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

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

D468-2050

Molecular Formula

C16H10FN3O2S (C16 H10 FN3 O2 S)

Compound Name

N-(2,1,3-benzothiadiazol-5-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

IUPAC name

N-(213-benzothiadiazol-5-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(Nc2cc3nsnc3cc2)=O)oc(cc2)c1cc2F

InChI

InChI=1S/C16H10FN3O2S/c1-8-11-6-9(17)2-5-14(11)22-15(8)16(21)18-10-3-4-12-13(7-10)20-23-19-12/h2-7H,1H3,(H,18,21)

InChI Key

IHJUPHZTNIHVAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12919590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.484

Distribution Coefficient, logD

4.433

Water Solubility, LogSw

-4.31

Polar Surface Area

52.038

Acid Dissociation Constant (pKa)

8.30

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

D468-2050 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Eye
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with D468-2050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D468-2050?
Check Price and Availability of D468-2050, 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 D468-2050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D468-2050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D468-2050
  • 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 D468-2050 available by request