C712-1081 Screening compound: methyl 2-{4H-thieno[3,2-c]chromene-2-amido}benzoate

C712-1081 Screening compound: methyl 2-{4H-thieno[3,2-c]chromene-2-amido}benzoate
C712-1081 Screening compound: methyl 2-{4H-thieno[3,2-c]chromene-2-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-1081
methyl 2-{4H-thieno[3,2-c]chromene-2-amido}benzoate

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

C712-1081

Molecular Formula

C20H15NO4S (C20 H15 NO4 S)

Compound Name

methyl 2-{4H-thieno[3,2-c]chromene-2-amido}benzoate

IUPAC name

methyl 2-{4H-thieno[32-c]chromene-2-amido}benzoate

SMILES

COC(c(cccc1)c1NC(c1cc(COc2c-3cccc2)c3s1)=O)=O

InChI

InChI=1S/C20H15NO4S/c1-24-20(23)13-6-2-4-8-15(13)21-19(22)17-10-12-11-25-16-9-5-3-7-14(16)18(12)26-17/h2-10H,11H2,1H3,(H,21,22)

InChI Key

RGMNPQPSIZTPDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.292

Distribution Coefficient, logD

4.281

Water Solubility, LogSw

-4.42

Polar Surface Area

52.922

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C712-1081 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with C712-1081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-1081?
Check Price and Availability of C712-1081, 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 C712-1081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-1081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-1081
  • 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 C712-1081 available by request