1050-0024 Screening compound: 1-amino-4-benzamido-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

1050-0024 Screening compound: 1-amino-4-benzamido-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
1050-0024 Screening compound: 1-amino-4-benzamido-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1050-0024
1-amino-4-benzamido-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

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

1050-0024

Molecular Formula

C21H13N2O6S (C21 H13 N2 O6 S)

Compound Name

1-amino-4-benzamido-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

IUPAC name

1-amino-4-benzamido-910-dioxo-910-dihydroanthracene-2-sulfonate

SMILES

Nc(c(C(c1c2cccc1)=O)c(c(NC(c1ccccc1)=O)c1)C2=O)c1S([O-])(=O)=O

InChI

InChI=1S/C21H14N2O6S/c22-18-15(30(27,28)29)10-14(23-21(26)11-6-2-1-3-7-11)16-17(18)20(25)13-9-5-4-8-12(13)19(16)24/h1-10H,22H2,(H,23,26)(H,27,28,29)/p-1

InChI Key

ZKAPJYWTWQPVRO-UHFFFAOYSA-M

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Na+

Molecular Weight

421.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.906

Distribution Coefficient, logD

0.516

Water Solubility, LogSw

-2.42

Polar Surface Area

110.374

Acid Dissociation Constant (pKa)

7.24

Base Dissociation Constant (pKb)

-5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1050-0024 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Autophagy-Targeted Library (4564 compounds)

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

Human GPCR Annotated Library (5539 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 1050-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1050-0024?
Check Price and Availability of 1050-0024, 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 1050-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1050-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1050-0024
  • 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 1050-0024 available by request