D443-2399 Screening compound: N-(4-bromophenyl)-1-oxo-1H-isothiochromene-3-carboxamide

D443-2399 Screening compound: N-(4-bromophenyl)-1-oxo-1H-isothiochromene-3-carboxamide
D443-2399 Screening compound: N-(4-bromophenyl)-1-oxo-1H-isothiochromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D443-2399
N-(4-bromophenyl)-1-oxo-1H-isothiochromene-3-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

D443-2399

Molecular Formula

C16H10BrNO2S (C16 H10 BrNO2 S)

Compound Name

N-(4-bromophenyl)-1-oxo-1H-isothiochromene-3-carboxamide

IUPAC name

N-(4-bromophenyl)-1-oxo-1H-isothiochromene-3-carboxamide

SMILES

O=C(C(S1)=Cc(cccc2)c2C1=O)Nc(cc1)ccc1Br

InChI

InChI=1S/C16H10BrNO2S/c17-11-5-7-12(8-6-11)18-15(19)14-9-10-3-1-2-4-13(10)16(20)21-14/h1-9H,(H,18,19)

InChI Key

JOZGGZLYFBWNIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10081977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.441

Distribution Coefficient, logD

4.440

Water Solubility, LogSw

-4.58

Polar Surface Area

36.323

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D443-2399 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

STING Agonist Library (5895 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D443-2399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D443-2399?
Check Price and Availability of D443-2399, 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 D443-2399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D443-2399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D443-2399
  • 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 D443-2399 available by request