5984-0181 Screening compound: 1-ethyl-3-(2-{2-[2-(1-ethyl-1H-1,3-benzodiazol-3-ium-3-yl)ethoxy]ethoxy}ethyl)-1H-1,3-benzodiazol-3-ium

5984-0181 Screening compound: 1-ethyl-3-(2-{2-[2-(1-ethyl-1H-1,3-benzodiazol-3-ium-3-yl)ethoxy]ethoxy}ethyl)-1H-1,3-benzodiazol-3-ium
5984-0181 Screening compound: 1-ethyl-3-(2-{2-[2-(1-ethyl-1H-1,3-benzodiazol-3-ium-3-yl)ethoxy]ethoxy}ethyl)-1H-1,3-benzodiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 5984-0181
1-ethyl-3-(2-{2-[2-(1-ethyl-1H-1,3-benzodiazol-3-ium-3-yl)ethoxy]ethoxy}ethyl)-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

5984-0181

Molecular Formula

C24H32N4O2 (C24 H32 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(cccc2)c2[n+](CCOCCOCC[n+]2cn(CC)c3c2cccc3)c1

InChI

InChI=1S/C24H32N4O2/c1-3-25-19-27(23-11-7-5-9-21(23)25)13-15-29-17-18-30-16-14-28-20-26(4-2)22-10-6-8-12-24(22)28/h5-12,19-20H,3-4,13-18H2,1-2H3/q+2

InChI Key

YSOXAHZNTNDSEZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

2ClO4-

Molecular Weight

408.54

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.834

Distribution Coefficient, logD

2.834

Water Solubility, LogSw

-2.77

Polar Surface Area

22.792

Acid Dissociation Constant (pKa)

27.42

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

5984-0181 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5984-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5984-0181?
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What is the minimum amount of 5984-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5984-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5984-0181
  • 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 5984-0181 available by request