8017-1994 Screening compound: 2-[(5-isopropyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl phenyl ether

8017-1994 Screening compound: 2-[(5-isopropyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl phenyl ether
8017-1994 Screening compound: 2-[(5-isopropyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl phenyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1994
2-[(5-isopropyl-5H-[1,2,4]triazino[5,6-b]indol-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

8017-1994

Molecular Formula

C20H20N4OS (C20 H20 N4 OS)

Compound Name

2-[(5-isopropyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl phenyl ether

IUPAC name

3-[(2-phenoxyethyl)sulfanyl]-5-(propan-2-yl)-5H-[124]triazino[56-b]indole

SMILES

CC(C)n1c2nc(SCCOc3ccccc3)nnc2c2c1cccc2

InChI

InChI=1S/C20H20N4OS/c1-14(2)24-17-11-7-6-10-16(17)18-19(24)21-20(23-22-18)26-13-12-25-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3

InChI Key

LKIYKLUKVDXHKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.282

Distribution Coefficient, logD

4.282

Water Solubility, LogSw

-4.24

Polar Surface Area

41.471

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

-5.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8017-1994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1994?
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What is the minimum amount of 8017-1994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1994
  • 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 8017-1994 available by request