8016-6357 Screening compound: 2-methoxyphenyl [2-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)ethyl] ether

8016-6357 Screening compound: 2-methoxyphenyl [2-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)ethyl] ether
8016-6357 Screening compound: 2-methoxyphenyl [2-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)ethyl] ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6357
2-methoxyphenyl [2-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)ethyl] ether

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

8016-6357

Molecular Formula

C17H16N4O2S (C17 H16 N4 O2 S)

Compound Name

2-methoxyphenyl [2-(9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylsulfanyl)ethyl] ether

IUPAC name

3-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-2457-tetraazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaene

SMILES

COc(cccc1)c1OCCSc1nnc2n1c(cccc1)c1[nH]2

InChI

InChI=1S/C17H16N4O2S/c1-22-14-8-4-5-9-15(14)23-10-11-24-17-20-19-16-18-12-6-2-3-7-13(12)21(16)17/h2-9H,10-11H2,1H3,(H,18,19)

InChI Key

ISJMDGQNUCYTHO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.681

Distribution Coefficient, logD

2.680

Water Solubility, LogSw

-2.93

Polar Surface Area

47.265

Acid Dissociation Constant (pKa)

15.86

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

References: we are preparing a list of scientific research reports with 8016-6357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6357?
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What is the minimum amount of 8016-6357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6357
  • 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 8016-6357 available by request