2324-0146 Screening compound: 3-ethyl-2-[(1E)-3-[(2Z)-3-(3-sulfonatopropyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]prop-1-en-1-yl]-1,3-benzothiazol-3-ium

2324-0146 Screening compound: 3-ethyl-2-[(1E)-3-[(2Z)-3-(3-sulfonatopropyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]prop-1-en-1-yl]-1,3-benzothiazol-3-ium
2324-0146 Screening compound: 3-ethyl-2-[(1E)-3-[(2Z)-3-(3-sulfonatopropyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]prop-1-en-1-yl]-1,3-benzothiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 2324-0146
3-ethyl-2-[(1E)-3-[(2Z)-3-(3-sulfonatopropyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]prop-1-en-1-yl]-1,3-benzothiazol-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

2324-0146

Molecular Formula

C22H22N2O3S3 (C22 H22 N2 O3 S3)

Compound Name

3-ethyl-2-[(1E)-3-[(2Z)-3-(3-sulfonatopropyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]prop-1-en-1-yl]-1,3-benzothiazol-3-ium

IUPAC name

3-ethyl-2-[(1E)-3-[(2Z)-3-(3-sulfonatopropyl)-23-dihydro-13-benzothiazol-2-ylidene]prop-1-en-1-yl]-13-benzothiazol-3-ium

SMILES

CC[n+]1c(/C=C/C=C2\Sc(cccc3)c3N2CCCS([O-])(=O)=O)sc2c1cccc2

InChI

InChI=1S/C22H22N2O3S3/c1-2-23-17-9-3-5-11-19(17)28-21(23)13-7-14-22-24(15-8-16-30(25,26)27)18-10-4-6-12-20(18)29-22/h3-7,9-14H,2,8,15-16H2,1H3

InChI Key

BELIVJAZPCXKSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01841138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.948

Distribution Coefficient, logD

3.948

Water Solubility, LogSw

-3.91

Polar Surface Area

45.455

Acid Dissociation Constant (pKa)

21.65

Base Dissociation Constant (pKb)

-4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

2324-0146 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2324-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2324-0146?
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What is the minimum amount of 2324-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2324-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2324-0146
  • 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 2324-0146 available by request