6386-0007 Screening compound: 2-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-9-yl)ethyl phenyl ether

6386-0007 Screening compound: 2-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-9-yl)ethyl phenyl ether
6386-0007 Screening compound: 2-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-9-yl)ethyl phenyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 6386-0007
2-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-9-yl)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

6386-0007

Molecular Formula

C25H24N4O2S (C25 H24 N4 O2 S)

Compound Name

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

IUPAC name

3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-7-(2-phenoxyethyl)-2457-tetraazatricyclo[6.4.0.0^{26}]dodeca-1(12)35810-pentaene

SMILES

Cc(cc1)ccc1OCCSc1nnc2n1c(cccc1)c1n2CCOc1ccccc1

InChI

InChI=1S/C25H24N4O2S/c1-19-11-13-21(14-12-19)31-17-18-32-25-27-26-24-28(15-16-30-20-7-3-2-4-8-20)22-9-5-6-10-23(22)29(24)25/h2-14H,15-18H2,1H3

InChI Key

ZXEMVCIRGDHFOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04218134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.482

Distribution Coefficient, logD

5.478

Water Solubility, LogSw

-5.52

Polar Surface Area

39.469

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

6386-0007 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6386-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6386-0007?
Check Price and Availability of 6386-0007, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6386-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6386-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6386-0007
  • 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 6386-0007 available by request