3330-2843 Screening compound: 3,4,5-triethoxy-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide

3330-2843 Screening compound: 3,4,5-triethoxy-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
3330-2843 Screening compound: 3,4,5-triethoxy-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3330-2843
3,4,5-triethoxy-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}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

3330-2843

Molecular Formula

C23H28N4O4S (C23 H28 N4 O4 S)

Compound Name

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

IUPAC name

345-triethoxy-N-{[4-(3-methylphenyl)-5-sulfanylidene-45-dihydro-1H-124-triazol-3-yl]methyl}benzamide

SMILES

CCOc1cc(C(NCC(N2c3cc(C)ccc3)=NNC2=S)=O)cc(OCC)c1OCC

InChI

InChI=1S/C23H28N4O4S/c1-5-29-18-12-16(13-19(30-6-2)21(18)31-7-3)22(28)24-14-20-25-26-23(32)27(20)17-10-8-9-15(4)11-17/h8-13H,5-7,14H2,1-4H3,(H,24,28)(H,26,32)

InChI Key

PUHOSNDTODISQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04409953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.853

Distribution Coefficient, logD

3.518

Water Solubility, LogSw

-3.93

Polar Surface Area

73.231

Acid Dissociation Constant (pKa)

7.34

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with 3330-2843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3330-2843?
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What is the minimum amount of 3330-2843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3330-2843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3330-2843
  • 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 3330-2843 available by request