2324-0348 Screening compound: 5,6-dichloro-2-[(1E)-3-[(2Z)-5,6-dichloro-1-octyl-3-(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]prop-1-en-1-yl]-3-octyl-1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-3-ium

2324-0348 Screening compound: 5,6-dichloro-2-[(1E)-3-[(2Z)-5,6-dichloro-1-octyl-3-(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]prop-1-en-1-yl]-3-octyl-1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-3-ium
2324-0348 Screening compound: 5,6-dichloro-2-[(1E)-3-[(2Z)-5,6-dichloro-1-octyl-3-(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]prop-1-en-1-yl]-3-octyl-1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 2324-0348
5,6-dichloro-2-[(1E)-3-[(2Z)-5,6-dichloro-1-octyl-3-(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]prop-1-en-1-yl]-3-octyl-1-(prop-2-en-1-yl)-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

2324-0348

Molecular Formula

C39H51Cl4N4 (C39 H51 Cl4 N4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C39H51Cl4N4/c1-5-9-11-13-15-17-24-46-36-28-32(42)30(40)26-34(36)44(22-7-3)38(46)20-19-21-39-45(23-8-4)35-27-31(41)33(43)29-37(35)47(39)25-18-16-14-12-10-6-2/h7-8,19-21,26-29H,3-6,9-18,22-25H2,1-2H3/q+1

InChI Key

QKRBCXTUXQPENF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01841226

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

717.67

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

20.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

15.312

Distribution Coefficient, logD

15.312

Water Solubility, LogSw

-6.87

Polar Surface Area

5.609

Acid Dissociation Constant (pKa)

25.61

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

2324-0348 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 2324-0348 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2324-0348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2324-0348
  • 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 2324-0348 available by request