C066-1839 Screening compound: N-(2-chlorophenyl)-N-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide

C066-1839 Screening compound: N-(2-chlorophenyl)-N-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide
C066-1839 Screening compound: N-(2-chlorophenyl)-N-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1839
N-(2-chlorophenyl)-N-methyl-4-oxo-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

C066-1839

Molecular Formula

C19H12ClNO3S (C19 H12 ClNO3 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C(c1cc(C(Oc2c-3cccc2)=O)c3s1)=O)c(cccc1)c1Cl

InChI

InChI=1S/C19H12ClNO3S/c1-21(14-8-4-3-7-13(14)20)18(22)16-10-12-17(25-16)11-6-2-5-9-15(11)24-19(12)23/h2-10H,1H3

InChI Key

JJBMAYWOQJNOAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.573

Distribution Coefficient, logD

4.573

Water Solubility, LogSw

-4.72

Polar Surface Area

36.975

Acid Dissociation Constant (pKa)

31.47

Base Dissociation Constant (pKb)

-5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

C066-1839 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C066-1839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1839?
Check Price and Availability of C066-1839, 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 C066-1839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1839
  • 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 C066-1839 available by request