2324-0206 Screening compound: 5,6-dichloro-2-[(1E)-3-[(2E)-5,6-dichloro-1-octyl-3-pentyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]prop-1-en-1-yl]-3-octyl-1-pentyl-1H-1,3-benzodiazol-3-ium

2324-0206 Screening compound: 5,6-dichloro-2-[(1E)-3-[(2E)-5,6-dichloro-1-octyl-3-pentyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]prop-1-en-1-yl]-3-octyl-1-pentyl-1H-1,3-benzodiazol-3-ium
2324-0206 Screening compound: 5,6-dichloro-2-[(1E)-3-[(2E)-5,6-dichloro-1-octyl-3-pentyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]prop-1-en-1-yl]-3-octyl-1-pentyl-1H-1,3-benzodiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 2324-0206
5,6-dichloro-2-[(1E)-3-[(2E)-5,6-dichloro-1-octyl-3-pentyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]prop-1-en-1-yl]-3-octyl-1-pentyl-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

2324-0206

Molecular Formula

C43H63Cl4N4 (C43 H63 Cl4 N4)

Compound Name

5,6-dichloro-2-[(1E)-3-[(2E)-5,6-dichloro-1-octyl-3-pentyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]prop-1-en-1-yl]-3-octyl-1-pentyl-1H-1,3-benzodiazol-3-ium

IUPAC name

56-dichloro-2-[(1E)-3-[(2E)-56-dichloro-1-octyl-3-pentyl-23-dihydro-1H-13-benzodiazol-2-ylidene]prop-1-en-1-yl]-3-octyl-1-pentyl-1H-13-benzodiazol-3-ium

SMILES

CCCCCCCCN1c(cc(c(Cl)c2)Cl)c2N(CCCCC)/C1=C\C=C\c(n(CCCCC)c1c2)[n+](CCCCCCCC)c1cc(Cl)c2Cl

InChI

InChI=1S/C43H63Cl4N4/c1-5-9-13-15-17-21-28-50-40-32-36(46)34(44)30-38(40)48(26-19-11-7-3)42(50)24-23-25-43-49(27-20-12-8-4)39-31-35(45)37(47)33-41(39)51(43)29-22-18-16-14-10-6-2/h23-25,30-33H,5-22,26-29H2,1-4H3/q+1

InChI Key

ZRQAVRDGTXHLFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01841163

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

777.81

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

24.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

18.049

Distribution Coefficient, logD

18.049

Water Solubility, LogSw

-6.87

Polar Surface Area

5.609

Acid Dissociation Constant (pKa)

25.61

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.50

2324-0206 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2324-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2324-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2324-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2324-0206
  • 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 2324-0206 available by request