4102-0137 Screening compound: 1H,2H,3H-cyclopenta[b]quinoxaline-4,9-diium-4,9-bis(olate)

4102-0137 Screening compound: 1H,2H,3H-cyclopenta[b]quinoxaline-4,9-diium-4,9-bis(olate)
4102-0137 Screening compound: 1H,2H,3H-cyclopenta[b]quinoxaline-4,9-diium-4,9-bis(olate) alternative view

Chemical Structure Depiction of ChemDiv screening compound 4102-0137
1H,2H,3H-cyclopenta[b]quinoxaline-4,9-diium-4,9-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

4102-0137

Molecular Formula

C11H10N2O2 (C11 H10 N2 O2)

Compound Name

1H,2H,3H-cyclopenta[b]quinoxaline-4,9-diium-4,9-bis(olate)

IUPAC name

1H2H3H-cyclopenta[b]quinoxaline-49-diium-49-bis(olate)

SMILES

[O-][n+](c1ccccc11)c(CCC2)c2[n+]1[O-]

InChI

InChI=1S/C11H10N2O2/c14-12-8-4-1-2-5-9(8)13(15)11-7-3-6-10(11)12/h1-2,4-5H,3,6-7H2

InChI Key

ZOQNRQZXPOIANN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02029511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

202.21

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.587

Distribution Coefficient, logD

1.587

Water Solubility, LogSw

-1.57

Polar Surface Area

35.852

Acid Dissociation Constant (pKa)

18.14

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

4102-0137 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)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4102-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4102-0137?
Check Price and Availability of 4102-0137, 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 4102-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4102-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4102-0137
  • 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 4102-0137 available by request