0433-0004 Screening compound: 5,6-dichloro-3-{2-[2-(5,6-dichloro-1-ethyl-2-methyl-1H-1,3-benzodiazol-3-ium-3-yl)ethoxy]ethyl}-1-ethyl-2-methyl-1H-1,3-benzodiazol-3-ium

0433-0004 Screening compound: 5,6-dichloro-3-{2-[2-(5,6-dichloro-1-ethyl-2-methyl-1H-1,3-benzodiazol-3-ium-3-yl)ethoxy]ethyl}-1-ethyl-2-methyl-1H-1,3-benzodiazol-3-ium
0433-0004 Screening compound: 5,6-dichloro-3-{2-[2-(5,6-dichloro-1-ethyl-2-methyl-1H-1,3-benzodiazol-3-ium-3-yl)ethoxy]ethyl}-1-ethyl-2-methyl-1H-1,3-benzodiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0433-0004
5,6-dichloro-3-{2-[2-(5,6-dichloro-1-ethyl-2-methyl-1H-1,3-benzodiazol-3-ium-3-yl)ethoxy]ethyl}-1-ethyl-2-methyl-1H-1,3-benzodiazol-3-ium

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

0433-0004

Molecular Formula

C24H28Cl4N4O (C24 H28 Cl4 N4 O)

Compound Name

5,6-dichloro-3-{2-[2-(5,6-dichloro-1-ethyl-2-methyl-1H-1,3-benzodiazol-3-ium-3-yl)ethoxy]ethyl}-1-ethyl-2-methyl-1H-1,3-benzodiazol-3-ium

IUPAC name

56-dichloro-3-{2-[2-(56-dichloro-1-ethyl-2-methyl-1H-13-benzodiazol-3-ium-3-yl)ethoxy]ethyl}-1-ethyl-2-methyl-1H-13-benzodiazol-3-ium

SMILES

CCn1c(cc(c(Cl)c2)Cl)c2[n+](CCOCC[n+](c2c3)c(C)n(CC)c2cc(Cl)c3Cl)c1C

InChI

InChI=1S/C24H28Cl4N4O/c1-5-29-15(3)31(23-13-19(27)17(25)11-21(23)29)7-9-33-10-8-32-16(4)30(6-2)22-12-18(26)20(28)14-24(22)32/h11-14H,5-10H2,1-4H3/q+2

InChI Key

FKAXXUTUQDVZHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00643259

Chemical and Physical Properties

Saltdata

2I-

Molecular Weight

530.32

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.129

Distribution Coefficient, logD

7.129

Water Solubility, LogSw

-6.66

Polar Surface Area

15.396

Acid Dissociation Constant (pKa)

26.05

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

0433-0004 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Frequent Hitters Library (7624 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0433-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 0433-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0433-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0433-0004
  • 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 0433-0004 available by request