0549-0146 Screening compound: 2-chloro-N-(3-chloro-9,10-dioxo-9,10-dihydroanthracen-2-yl)acetamide

0549-0146 Screening compound: 2-chloro-N-(3-chloro-9,10-dioxo-9,10-dihydroanthracen-2-yl)acetamide
0549-0146 Screening compound: 2-chloro-N-(3-chloro-9,10-dioxo-9,10-dihydroanthracen-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0549-0146
2-chloro-N-(3-chloro-9,10-dioxo-9,10-dihydroanthracen-2-yl)acetamide

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

0549-0146

Molecular Formula

C16H9Cl2NO3 (C16 H9 Cl2 NO3)

Compound Name

2-chloro-N-(3-chloro-9,10-dioxo-9,10-dihydroanthracen-2-yl)acetamide

IUPAC name

2-chloro-N-(3-chloro-910-dioxo-910-dihydroanthracen-2-yl)acetamide

SMILES

O=C(CCl)Nc(cc(c(C(c1c2cccc1)=O)c1)C2=O)c1Cl

InChI

InChI=1S/C16H9Cl2NO3/c17-7-14(20)19-13-6-11-10(5-12(13)18)15(21)8-3-1-2-4-9(8)16(11)22/h1-6H,7H2,(H,19,20)

InChI Key

ZBBVALVBAUOYBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00567927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.16

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.945

Distribution Coefficient, logD

3.292

Water Solubility, LogSw

-4.50

Polar Surface Area

48.632

Acid Dissociation Constant (pKa)

6.86

Base Dissociation Constant (pKb)

-8.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

0549-0146 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0549-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0549-0146?
Check Price and Availability of 0549-0146, 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 0549-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0549-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0549-0146
  • 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 0549-0146 available by request