0092-0003 Screening compound: 2-acetyl-3-(4-bromophenyl)-1,4-dihydronaphthalene-1,4-dione

0092-0003 Screening compound: 2-acetyl-3-(4-bromophenyl)-1,4-dihydronaphthalene-1,4-dione
0092-0003 Screening compound: 2-acetyl-3-(4-bromophenyl)-1,4-dihydronaphthalene-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0092-0003
2-acetyl-3-(4-bromophenyl)-1,4-dihydronaphthalene-1,4-dione

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

0092-0003

Molecular Formula

C18H11BrO3 (C18 H11 BrO3)

Compound Name

2-acetyl-3-(4-bromophenyl)-1,4-dihydronaphthalene-1,4-dione

IUPAC name

2-acetyl-3-(4-bromophenyl)-14-dihydronaphthalene-14-dione

SMILES

CC(C(C(c1c2cccc1)=O)=C(c(cc1)ccc1Br)C2=O)=O

InChI

InChI=1S/C18H11BrO3/c1-10(20)15-16(11-6-8-12(19)9-7-11)18(22)14-5-3-2-4-13(14)17(15)21/h2-9H,1H3

InChI Key

AIFGMUQKEOBNOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00409309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.19

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.776

Distribution Coefficient, logD

3.776

Water Solubility, LogSw

-4.10

Polar Surface Area

40.007

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

0092-0003 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 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
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0092-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0092-0003?
Check Price and Availability of 0092-0003, 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 0092-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0092-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0092-0003
  • 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 0092-0003 available by request