4356-0754 Screening compound: 2-[(benzenesulfonyl)methyl]-5-[(2,4-dichlorophenyl)amino]-3-phenyl-1,2,4-thiadiazol-2-ium

4356-0754 Screening compound: 2-[(benzenesulfonyl)methyl]-5-[(2,4-dichlorophenyl)amino]-3-phenyl-1,2,4-thiadiazol-2-ium
4356-0754 Screening compound: 2-[(benzenesulfonyl)methyl]-5-[(2,4-dichlorophenyl)amino]-3-phenyl-1,2,4-thiadiazol-2-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4356-0754
2-[(benzenesulfonyl)methyl]-5-[(2,4-dichlorophenyl)amino]-3-phenyl-1,2,4-thiadiazol-2-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

4356-0754

Molecular Formula

C21H16Cl2N3O2S2 (C21 H16 Cl2 N3 O2 S2)

Compound Name

2-[(benzenesulfonyl)methyl]-5-[(2,4-dichlorophenyl)amino]-3-phenyl-1,2,4-thiadiazol-2-ium

IUPAC name

2-[(benzenesulfonyl)methyl]-5-[(24-dichlorophenyl)amino]-3-phenyl-124-thiadiazol-2-ium

SMILES

O=S(C[n+]1c(-c2ccccc2)nc(Nc(ccc(Cl)c2)c2Cl)s1)(c1ccccc1)=O

InChI

InChI=1S/C21H15Cl2N3O2S2/c22-16-11-12-19(18(23)13-16)24-21-25-20(15-7-3-1-4-8-15)26(29-21)14-30(27,28)17-9-5-2-6-10-17/h1-13H,14H2/p+1

InChI Key

JJUVISRHOYFYJC-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD00620647

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

477.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.445

Distribution Coefficient, logD

6.445

Water Solubility, LogSw

-6.40

Polar Surface Area

48.757

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

4356-0754 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4356-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4356-0754?
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What is the minimum amount of 4356-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4356-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4356-0754
  • 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 4356-0754 available by request