0325-0417 Screening compound: tetrabromocyclohexa-2,5-diene-1,4-dione

0325-0417 Screening compound: tetrabromocyclohexa-2,5-diene-1,4-dione
0325-0417 Screening compound: tetrabromocyclohexa-2,5-diene-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0325-0417
tetrabromocyclohexa-2,5-diene-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

0325-0417

Molecular Formula

C6Br4O2 (C6 Br4 O2)

Compound Name

tetrabromocyclohexa-2,5-diene-1,4-dione

IUPAC name

tetrabromocyclohexa-25-diene-14-dione

SMILES

O=C(C(Br)=C(C1=O)Br)C(Br)=C1Br

InChI

InChI=1S/C6Br4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11

InChI Key

LWHDQPLUIFIFFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00013785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.68

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.959

Distribution Coefficient, logD

2.959

Water Solubility, LogSw

-2.89

Polar Surface Area

26.723

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0325-0417 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Frequent Hitters Library (7624 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0325-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0325-0417?
Check Price and Availability of 0325-0417, 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 0325-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0325-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0325-0417
  • 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 0325-0417 available by request