3330-2797 Screening compound: N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide

3330-2797 Screening compound: N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide
3330-2797 Screening compound: N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3330-2797
N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide

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

3330-2797

Molecular Formula

C18H17ClN4O3S (C18 H17 ClN4 O3 S)

Compound Name

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

IUPAC name

N-{[4-(3-chlorophenyl)-5-sulfanylidene-45-dihydro-1H-124-triazol-3-yl]methyl}-35-dimethoxybenzamide

SMILES

COc1cc(C(NCC(N2c3cccc(Cl)c3)=NNC2=S)=O)cc(OC)c1

InChI

InChI=1S/C18H17ClN4O3S/c1-25-14-6-11(7-15(9-14)26-2)17(24)20-10-16-21-22-18(27)23(16)13-5-3-4-12(19)8-13/h3-9H,10H2,1-2H3,(H,20,24)(H,22,27)

InChI Key

ATRRYNGJLYVKOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04409927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.520

Distribution Coefficient, logD

1.788

Water Solubility, LogSw

-3.98

Polar Surface Area

66.602

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3330-2797 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3330-2797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3330-2797?
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What is the minimum amount of 3330-2797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3330-2797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3330-2797
  • 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 3330-2797 available by request