5794-0692 Screening compound: 2-(4-bromophenyl)-5H,6H,7H-cyclopenta[b]pyrazine-1,4-diium-1,4-bis(olate)

5794-0692 Screening compound: 2-(4-bromophenyl)-5H,6H,7H-cyclopenta[b]pyrazine-1,4-diium-1,4-bis(olate)
5794-0692 Screening compound: 2-(4-bromophenyl)-5H,6H,7H-cyclopenta[b]pyrazine-1,4-diium-1,4-bis(olate) alternative view

Chemical Structure Depiction of ChemDiv screening compound 5794-0692
2-(4-bromophenyl)-5H,6H,7H-cyclopenta[b]pyrazine-1,4-diium-1,4-bis(olate)

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

5794-0692

Molecular Formula

C13H11BrN2O2 (C13 H11 BrN2 O2)

Compound Name

2-(4-bromophenyl)-5H,6H,7H-cyclopenta[b]pyrazine-1,4-diium-1,4-bis(olate)

IUPAC name

2-(4-bromophenyl)-5H6H7H-cyclopenta[b]pyrazine-14-diium-14-bis(olate)

SMILES

[O-][n+](c1c2CCC1)cc(-c(cc1)ccc1Br)[n+]2[O-]

InChI

InChI=1S/C13H11BrN2O2/c14-10-6-4-9(5-7-10)13-8-15(17)11-2-1-3-12(11)16(13)18/h4-8H,1-3H2

InChI Key

LBKFAECMCXHSCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02140699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.15

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.070

Distribution Coefficient, logD

3.070

Water Solubility, LogSw

-3.06

Polar Surface Area

36.168

Acid Dissociation Constant (pKa)

18.79

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

5794-0692 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5794-0692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5794-0692?
Check Price and Availability of 5794-0692, 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 5794-0692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5794-0692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5794-0692
  • 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 5794-0692 available by request