8015-3433 Screening compound: 2-amino-3-cyano-6-fluoro-7-(1-pyrrolidinyl)-1,4-quinoxalinediiumdiolate

8015-3433 Screening compound: 2-amino-3-cyano-6-fluoro-7-(1-pyrrolidinyl)-1,4-quinoxalinediiumdiolate
8015-3433 Screening compound: 2-amino-3-cyano-6-fluoro-7-(1-pyrrolidinyl)-1,4-quinoxalinediiumdiolate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3433
2-amino-3-cyano-6-fluoro-7-(1-pyrrolidinyl)-1,4-quinoxalinediiumdiolate

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

8015-3433

Molecular Formula

C13H12FN5O2 (C13 H12 FN5 O2)

Compound Name

2-amino-3-cyano-6-fluoro-7-(1-pyrrolidinyl)-1,4-quinoxalinediiumdiolate

IUPAC name

2-amino-3-cyano-6-fluoro-7-(pyrrolidin-1-yl)quinoxaline-14-diium-14-bis(olate)

SMILES

Nc1c(C#N)[n+]([O-])c(cc(c(N2CCCC2)c2)F)c2[n+]1[O-]

InChI

InChI=1S/C13H12FN5O2/c14-8-5-10-11(6-9(8)17-3-1-2-4-17)19(21)13(16)12(7-15)18(10)20/h5-6H,1-4,16H2

InChI Key

JDXUQYBTEZNAJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04060821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.243

Distribution Coefficient, logD

1.243

Water Solubility, LogSw

-1.59

Polar Surface Area

74.932

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

8015-3433 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-3433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3433?
Check Price and Availability of 8015-3433, 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 8015-3433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3433
  • 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 8015-3433 available by request