2324-0334 Screening compound: 5-(ethoxycarbonyl)-2-[(1E)-3-[(2E)-5-(ethoxycarbonyl)-1-ethyl-3-[(2Z)-3-sulfonatoprop-2-en-1-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]prop-1-en-1-yl]-1-ethyl-3-(prop-2-en-1-yl)-1H-1,3-benzodiazol-3-ium

2324-0334 Screening compound: 5-(ethoxycarbonyl)-2-[(1E)-3-[(2E)-5-(ethoxycarbonyl)-1-ethyl-3-[(2Z)-3-sulfonatoprop-2-en-1-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]prop-1-en-1-yl]-1-ethyl-3-(prop-2-en-1-yl)-1H-1,3-benzodiazol-3-ium
2324-0334 Screening compound: 5-(ethoxycarbonyl)-2-[(1E)-3-[(2E)-5-(ethoxycarbonyl)-1-ethyl-3-[(2Z)-3-sulfonatoprop-2-en-1-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]prop-1-en-1-yl]-1-ethyl-3-(prop-2-en-1-yl)-1H-1,3-benzodiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 2324-0334
5-(ethoxycarbonyl)-2-[(1E)-3-[(2E)-5-(ethoxycarbonyl)-1-ethyl-3-[(2Z)-3-sulfonatoprop-2-en-1-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]prop-1-en-1-yl]-1-ethyl-3-(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

2324-0334

Molecular Formula

C33H38N4O7S (C33 H38 N4 O7 S)

Compound Name

5-(ethoxycarbonyl)-2-[(1E)-3-[(2E)-5-(ethoxycarbonyl)-1-ethyl-3-[(2Z)-3-sulfonatoprop-2-en-1-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]prop-1-en-1-yl]-1-ethyl-3-(prop-2-en-1-yl)-1H-1,3-benzodiazol-3-ium

IUPAC name

5-(ethoxycarbonyl)-2-[(1E)-3-[(2E)-5-(ethoxycarbonyl)-1-ethyl-3-[(2Z)-3-sulfonatoprop-2-en-1-yl]-23-dihydro-1H-13-benzodiazol-2-ylidene]prop-1-en-1-yl]-1-ethyl-3-(prop-2-en-1-yl)-1H-13-benzodiazol-3-ium

SMILES

CCn1c(ccc(C(OCC)=O)c2)c2[n+](CC=C)c1/C=C/C=C1/N(C/C=C\S([O-])(=O)=O)c(cc(cc2)C(OCC)=O)c2N1CC

InChI

InChI=1S/C33H38N4O7S/c1-6-19-36-28-22-24(32(38)43-9-4)15-17-26(28)34(7-2)30(36)13-11-14-31-35(8-3)27-18-16-25(33(39)44-10-5)23-29(27)37(31)20-12-21-45(40,41)42/h6,11-18,21-23H,1,7-10,19-20H2,2-5H3

InChI Key

GWZZILOLWHIPPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01841222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

634.75

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.380

Distribution Coefficient, logD

5.380

Water Solubility, LogSw

-5.32

Polar Surface Area

89.669

Acid Dissociation Constant (pKa)

26.25

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.30

2324-0334 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2324-0334 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 2324-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2324-0334
  • 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 2324-0334 available by request