C849-0895 Screening compound: N-(2-methylphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide

C849-0895 Screening compound: N-(2-methylphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
C849-0895 Screening compound: N-(2-methylphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C849-0895
N-(2-methylphenyl)-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

C849-0895

Molecular Formula

C19H15NOS2 (C19 H15 NOS2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1NC(c1cc(CSc2c-3cccc2)c3s1)=O

InChI

InChI=1S/C19H15NOS2/c1-12-6-2-4-8-15(12)20-19(21)17-10-13-11-22-16-9-5-3-7-14(16)18(13)23-17/h2-10H,11H2,1H3,(H,20,21)

InChI Key

SOEPWCPXVUIFHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.901

Distribution Coefficient, logD

4.901

Water Solubility, LogSw

-4.57

Polar Surface Area

23.299

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

C849-0895 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C849-0895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C849-0895?
Check Price and Availability of C849-0895, 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 C849-0895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C849-0895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C849-0895
  • 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 C849-0895 available by request