3330-2958 Screening compound: N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide

3330-2958 Screening compound: N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide
3330-2958 Screening compound: N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3330-2958
N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide

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

3330-2958

Molecular Formula

C18H17Cl2N5O3S2 (C18 H17 Cl2 N5 O3 S2)

Compound Name

N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide

IUPAC name

N-{[4-(34-dichlorophenyl)-5-sulfanylidene-45-dihydro-1H-124-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide

SMILES

CN(C)S(c(cc1)ccc1C(NCC(N1c(cc2)cc(Cl)c2Cl)=NNC1=S)=O)(=O)=O

InChI

InChI=1S/C18H17Cl2N5O3S2/c1-24(2)30(27,28)13-6-3-11(4-7-13)17(26)21-10-16-22-23-18(29)25(16)12-5-8-14(19)15(20)9-12/h3-9H,10H2,1-2H3,(H,21,26)(H,23,29)

InChI Key

LCVJMFGUFFGYKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04410001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.292

Distribution Coefficient, logD

1.559

Water Solubility, LogSw

-3.82

Polar Surface Area

85.178

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 3330-2958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3330-2958?
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What is the minimum amount of 3330-2958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3330-2958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3330-2958
  • 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 3330-2958 available by request