C066-1765 Screening compound: N-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide

C066-1765 Screening compound: N-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
C066-1765 Screening compound: N-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1765
N-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-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

C066-1765

Molecular Formula

C20H12F3NO3S (C20 H12 F3 NO3 S)

Compound Name

N-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide

IUPAC name

N-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-4H-thieno[32-c]chromene-2-carboxamide

SMILES

CN(C(c1cc(C(Oc2c-3cccc2)=O)c3s1)=O)c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C20H12F3NO3S/c1-24(12-6-4-5-11(9-12)20(21,22)23)18(25)16-10-14-17(28-16)13-7-2-3-8-15(13)27-19(14)26/h2-10H,1H3

InChI Key

NKDCVPBMXZZJIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.021

Distribution Coefficient, logD

5.021

Water Solubility, LogSw

-4.83

Polar Surface Area

37.276

Acid Dissociation Constant (pKa)

31.47

Base Dissociation Constant (pKb)

-4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C066-1765 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C066-1765 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1765?
Check Price and Availability of C066-1765, 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 C066-1765 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1765
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1765
  • 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 C066-1765 available by request