4102-0141 Screening compound: 6-methoxy-1H,2H,3H-cyclopenta[b]quinoxaline-4,9-diium-4,9-bis(olate)

4102-0141 Screening compound: 6-methoxy-1H,2H,3H-cyclopenta[b]quinoxaline-4,9-diium-4,9-bis(olate)
4102-0141 Screening compound: 6-methoxy-1H,2H,3H-cyclopenta[b]quinoxaline-4,9-diium-4,9-bis(olate) alternative view

Chemical Structure Depiction of ChemDiv screening compound 4102-0141
6-methoxy-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

4102-0141

Molecular Formula

C12H12N2O3 (C12 H12 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc1[n+](c2c3CCC2)[O-])cc1[n+]3[O-]

InChI

InChI=1S/C12H12N2O3/c1-17-8-5-6-11-12(7-8)14(16)10-4-2-3-9(10)13(11)15/h5-7H,2-4H2,1H3

InChI Key

PJMQERYIKCJUIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02905298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.652

Distribution Coefficient, logD

1.652

Water Solubility, LogSw

-1.88

Polar Surface Area

43.396

Acid Dissociation Constant (pKa)

17.73

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4102-0141 in Drug Discovery

Included in Screening Libraries

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 4102-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4102-0141?
Check Price and Availability of 4102-0141, 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 4102-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4102-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4102-0141
  • 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 4102-0141 available by request