6023-0006 Screening compound: 2-[(9-methyl-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-yl)sulfanyl]ethyl phenyl ether

6023-0006 Screening compound: 2-[(9-methyl-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-yl)sulfanyl]ethyl phenyl ether
6023-0006 Screening compound: 2-[(9-methyl-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-yl)sulfanyl]ethyl phenyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 6023-0006
2-[(9-methyl-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-yl)sulfanyl]ethyl phenyl 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

6023-0006

Molecular Formula

C17H16N4OS (C17 H16 N4 OS)

Compound Name

2-[(9-methyl-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-yl)sulfanyl]ethyl phenyl ether

IUPAC name

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

SMILES

Cn(c(cccc1)c1n12)c2nnc1SCCOc1ccccc1

InChI

InChI=1S/C17H16N4OS/c1-20-14-9-5-6-10-15(14)21-16(20)18-19-17(21)23-12-11-22-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3

InChI Key

FVNIKELNHGHMDU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.013

Distribution Coefficient, logD

2.987

Water Solubility, LogSw

-3.09

Polar Surface Area

33.155

Acid Dissociation Constant (pKa)

24.74

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 6023-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6023-0006?
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What is the minimum amount of 6023-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6023-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6023-0006
  • 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 6023-0006 available by request