3330-2845 Screening compound: N-{[4-(2,6-diethylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4,5-triethoxybenzamide

3330-2845 Screening compound: N-{[4-(2,6-diethylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4,5-triethoxybenzamide
3330-2845 Screening compound: N-{[4-(2,6-diethylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4,5-triethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3330-2845
N-{[4-(2,6-diethylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4,5-triethoxybenzamide

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

3330-2845

Molecular Formula

C26H34N4O4S (C26 H34 N4 O4 S)

Compound Name

N-{[4-(2,6-diethylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4,5-triethoxybenzamide

IUPAC name

N-{[4-(26-diethylphenyl)-5-sulfanylidene-45-dihydro-1H-124-triazol-3-yl]methyl}-345-triethoxybenzamide

SMILES

CCc1cccc(CC)c1N(C(CNC(c(cc1OCC)cc(OCC)c1OCC)=O)=NN1)C1=S

InChI

InChI=1S/C26H34N4O4S/c1-6-17-12-11-13-18(7-2)23(17)30-22(28-29-26(30)35)16-27-25(31)19-14-20(32-8-3)24(34-10-5)21(15-19)33-9-4/h11-15H,6-10,16H2,1-5H3,(H,27,31)(H,29,35)

InChI Key

WZYJHWMSKMJWRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04409955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.256

Distribution Coefficient, logD

4.695

Water Solubility, LogSw

-5.09

Polar Surface Area

72.630

Acid Dissociation Constant (pKa)

6.98

Base Dissociation Constant (pKb)

6.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

References: we are preparing a list of scientific research reports with 3330-2845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3330-2845?
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What is the minimum amount of 3330-2845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3330-2845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3330-2845
  • 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 3330-2845 available by request