8012-3351 Screening compound: N-methyl-1-(methylsulfanyl)-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide

8012-3351 Screening compound: N-methyl-1-(methylsulfanyl)-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
8012-3351 Screening compound: N-methyl-1-(methylsulfanyl)-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-3351
N-methyl-1-(methylsulfanyl)-9,10-dioxo-9,10-dihydroanthracene-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

8012-3351

Molecular Formula

C17H13NO3S (C17 H13 NO3 S)

Compound Name

N-methyl-1-(methylsulfanyl)-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide

IUPAC name

N-methyl-1-(methylsulfanyl)-910-dioxo-910-dihydroanthracene-2-carboxamide

SMILES

CNC(c(c(SC)c1C(c2c3cccc2)=O)ccc1C3=O)=O

InChI

InChI=1S/C17H13NO3S/c1-18-17(21)12-8-7-11-13(16(12)22-2)15(20)10-6-4-3-5-9(10)14(11)19/h3-8H,1-2H3,(H,18,21)

InChI Key

WREOTVSOXLYIIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03035881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.207

Distribution Coefficient, logD

3.207

Water Solubility, LogSw

-4.10

Polar Surface Area

51.016

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

-3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

8012-3351 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Endocrine
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8012-3351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3351?
Check Price and Availability of 8012-3351, 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 8012-3351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3351
  • 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 8012-3351 available by request