C849-0916 Screening compound: N-[(4-chlorophenyl)methyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide

C849-0916 Screening compound: N-[(4-chlorophenyl)methyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide
C849-0916 Screening compound: N-[(4-chlorophenyl)methyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C849-0916
N-[(4-chlorophenyl)methyl]-4H-thieno[3,2-c]thiochromene-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

C849-0916

Molecular Formula

C19H14ClNOS2 (C19 H14 ClNOS2)

Compound Name

N-[(4-chlorophenyl)methyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide

IUPAC name

N-[(4-chlorophenyl)methyl]-4H-thieno[32-c]thiochromene-2-carboxamide

SMILES

O=C(c1cc(CSc2c-3cccc2)c3s1)NCc(cc1)ccc1Cl

InChI

InChI=1S/C19H14ClNOS2/c20-14-7-5-12(6-8-14)10-21-19(22)17-9-13-11-23-16-4-2-1-3-15(16)18(13)24-17/h1-9H,10-11H2,(H,21,22)

InChI Key

GBCJXCQMWWYHJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.91

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.091

Distribution Coefficient, logD

5.091

Water Solubility, LogSw

-5.39

Polar Surface Area

25.319

Acid Dissociation Constant (pKa)

12.93

Base Dissociation Constant (pKb)

-4.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

C849-0916 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Immunological Library (6760 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Immune system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C849-0916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C849-0916?
Check Price and Availability of C849-0916, 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 C849-0916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C849-0916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C849-0916
  • 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 C849-0916 available by request