5074-0057 Screening compound: 2-(4-chlorophenyl)-5H,6H,7H-cyclopenta[b]pyrazine-1,4-diium-1,4-bis(olate)

5074-0057 Screening compound: 2-(4-chlorophenyl)-5H,6H,7H-cyclopenta[b]pyrazine-1,4-diium-1,4-bis(olate)
5074-0057 Screening compound: 2-(4-chlorophenyl)-5H,6H,7H-cyclopenta[b]pyrazine-1,4-diium-1,4-bis(olate) alternative view

Chemical Structure Depiction of ChemDiv screening compound 5074-0057
2-(4-chlorophenyl)-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

5074-0057

Molecular Formula

C13H11ClN2O2 (C13 H11 ClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

[O-][n+](c1c2CCC1)cc(-c(cc1)ccc1Cl)[n+]2[O-]

InChI

InChI=1S/C13H11ClN2O2/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

QGIOBTWRCKYGST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03680680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.7

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

2.830

Distribution Coefficient, logD

2.830

Water Solubility, LogSw

-3.51

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

5074-0057 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 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 5074-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5074-0057?
Check Price and Availability of 5074-0057, 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 5074-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5074-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5074-0057
  • 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 5074-0057 available by request