3330-2686 Screening compound: 4-butoxy-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide

3330-2686 Screening compound: 4-butoxy-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide
3330-2686 Screening compound: 4-butoxy-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3330-2686
4-butoxy-N-[(4-phenyl-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

3330-2686

Molecular Formula

C20H22N4O2S (C20 H22 N4 O2 S)

Compound Name

4-butoxy-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide

IUPAC name

4-butoxy-N-[(4-phenyl-5-sulfanylidene-45-dihydro-1H-124-triazol-3-yl)methyl]benzamide

SMILES

CCCCOc(cc1)ccc1C(NCC(N1c2ccccc2)=NNC1=S)=O

InChI

InChI=1S/C20H22N4O2S/c1-2-3-13-26-17-11-9-15(10-12-17)19(25)21-14-18-22-23-20(27)24(18)16-7-5-4-6-8-16/h4-12H,2-3,13-14H2,1H3,(H,21,25)(H,23,27)

InChI Key

ZMCTWCUWLZGYBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04409879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.926

Distribution Coefficient, logD

3.075

Water Solubility, LogSw

-3.93

Polar Surface Area

58.932

Acid Dissociation Constant (pKa)

6.62

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3330-2686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3330-2686?
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What is the minimum amount of 3330-2686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3330-2686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3330-2686
  • 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 3330-2686 available by request