0163-0083 Screening compound: 3-bromo-N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide

0163-0083 Screening compound: 3-bromo-N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide
0163-0083 Screening compound: 3-bromo-N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0163-0083
3-bromo-N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide

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

0163-0083

Molecular Formula

C21H12BrNO3 (C21 H12 BrNO3)

Compound Name

3-bromo-N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide

IUPAC name

3-bromo-N-(910-dioxo-910-dihydroanthracen-1-yl)benzamide

SMILES

O=C(c1cccc(Br)c1)Nc(cccc1C(c2c3cccc2)=O)c1C3=O

InChI

InChI=1S/C21H12BrNO3/c22-13-6-3-5-12(11-13)21(26)23-17-10-4-9-16-18(17)20(25)15-8-2-1-7-14(15)19(16)24/h1-11H,(H,23,26)

InChI Key

KEASEEQCHMCLQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00363497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.24

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

5.385

Distribution Coefficient, logD

5.244

Water Solubility, LogSw

-5.80

Polar Surface Area

48.574

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

-8.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0163-0083 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 0163-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0163-0083?
Check Price and Availability of 0163-0083, 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 0163-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0163-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0163-0083
  • 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 0163-0083 available by request