C712-1221 Screening compound: N-(2-methyl-3-nitrophenyl)-4H-thieno[3,2-c]chromene-2-carboxamide

C712-1221 Screening compound: N-(2-methyl-3-nitrophenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
C712-1221 Screening compound: N-(2-methyl-3-nitrophenyl)-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-1221
N-(2-methyl-3-nitrophenyl)-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

C712-1221

Molecular Formula

C19H14N2O4S (C19 H14 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(c([N+]([O-])=O)ccc1)c1NC(c1cc(COc2c-3cccc2)c3s1)=O

InChI

InChI=1S/C19H14N2O4S/c1-11-14(6-4-7-15(11)21(23)24)20-19(22)17-9-12-10-25-16-8-3-2-5-13(16)18(12)26-17/h2-9H,10H2,1H3,(H,20,22)

InChI Key

GYKZBSNPFPOHPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.505

Distribution Coefficient, logD

4.504

Water Solubility, LogSw

-4.47

Polar Surface Area

64.829

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

-3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

C712-1221 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with C712-1221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-1221?
Check Price and Availability of C712-1221, 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 C712-1221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-1221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-1221
  • 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 C712-1221 available by request