5055-9164 Screening compound: 2,3-bis[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]quinoxaline-1,4-diium-1,4-bis(olate)

5055-9164 Screening compound: 2,3-bis[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]quinoxaline-1,4-diium-1,4-bis(olate)
5055-9164 Screening compound: 2,3-bis[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]quinoxaline-1,4-diium-1,4-bis(olate) alternative view

Chemical Structure Depiction of ChemDiv screening compound 5055-9164
2,3-bis[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]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

5055-9164

Molecular Formula

C24H18N6O2S2 (C24 H18 N6 O2 S2)

Compound Name

2,3-bis[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]quinoxaline-1,4-diium-1,4-bis(olate)

IUPAC name

23-bis[(1H-13-benzodiazol-2-ylsulfanyl)methyl]quinoxaline-14-diium-14-bis(olate)

SMILES

[O-][n+](c1ccccc11)c(CSc2nc(cccc3)c3[nH]2)c(CSc2nc(cccc3)c3[nH]2)[n+]1[O-]

InChI

InChI=1S/C24H18N6O2S2/c31-29-19-11-5-6-12-20(19)30(32)22(14-34-24-27-17-9-3-4-10-18(17)28-24)21(29)13-33-23-25-15-7-1-2-8-16(15)26-23/h1-12H,13-14H2,(H,25,26)(H,27,28)

InChI Key

WNGAWHNBVQBICP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00562460

Chemical and Physical Properties

Saltdata

2HBr

Molecular Weight

486.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.070

Distribution Coefficient, logD

4.051

Water Solubility, LogSw

-4.36

Polar Surface Area

70.100

Acid Dissociation Constant (pKa)

13.75

Base Dissociation Constant (pKb)

6.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

5055-9164 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5055-9164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5055-9164?
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What is the minimum amount of 5055-9164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5055-9164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5055-9164
  • 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 5055-9164 available by request