3228-0001 Screening compound: 7-chloro-2,3-dimethyl-6-(4-methylpiperazin-1-yl)quinoxaline-1,4-diium-1,4-bis(olate)

3228-0001 Screening compound: 7-chloro-2,3-dimethyl-6-(4-methylpiperazin-1-yl)quinoxaline-1,4-diium-1,4-bis(olate)
3228-0001 Screening compound: 7-chloro-2,3-dimethyl-6-(4-methylpiperazin-1-yl)quinoxaline-1,4-diium-1,4-bis(olate) alternative view

Chemical Structure Depiction of ChemDiv screening compound 3228-0001
7-chloro-2,3-dimethyl-6-(4-methylpiperazin-1-yl)quinoxaline-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

3228-0001

Molecular Formula

C15H19ClN4O2 (C15 H19 ClN4 O2)

Compound Name

7-chloro-2,3-dimethyl-6-(4-methylpiperazin-1-yl)quinoxaline-1,4-diium-1,4-bis(olate)

IUPAC name

7-chloro-23-dimethyl-6-(4-methylpiperazin-1-yl)quinoxaline-14-diium-14-bis(olate)

SMILES

Cc1c(C)[n+]([O-])c(cc(c(N2CCN(C)CC2)c2)Cl)c2[n+]1[O-]

InChI

InChI=1S/C15H19ClN4O2/c1-10-11(2)20(22)15-9-13(12(16)8-14(15)19(10)21)18-6-4-17(3)5-7-18/h8-9H,4-7H2,1-3H3

InChI Key

BTIXSXHIHNVUKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02053307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.000

Distribution Coefficient, logD

1.755

Water Solubility, LogSw

-2.56

Polar Surface Area

42.224

Acid Dissociation Constant (pKa)

25.39

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

3228-0001 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 3228-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3228-0001?
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What is the minimum amount of 3228-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3228-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3228-0001
  • 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 3228-0001 available by request