8007-1798 Screening compound: 4-[2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)ethyl]morpholine

8007-1798 Screening compound: 4-[2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)ethyl]morpholine
8007-1798 Screening compound: 4-[2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)ethyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-1798
4-[2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)ethyl]morpholine

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

8007-1798

Molecular Formula

C17H21N5OS (C17 H21 N5 OS)

Compound Name

4-[2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)ethyl]morpholine

IUPAC name

4-[2-({5-ethyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)ethyl]morpholine

SMILES

CCn1c2nc(SCCN3CCOCC3)nnc2c2c1cccc2

InChI

InChI=1S/C17H21N5OS/c1-2-22-14-6-4-3-5-13(14)15-16(22)18-17(20-19-15)24-12-9-21-7-10-23-11-8-21/h3-6H,2,7-12H2,1H3

InChI Key

GVASVTRINDKDAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01113347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.194

Distribution Coefficient, logD

2.080

Water Solubility, LogSw

-2.27

Polar Surface Area

44.594

Acid Dissociation Constant (pKa)

23.11

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

8007-1798 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8007-1798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-1798?
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What is the minimum amount of 8007-1798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-1798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-1798
  • 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 8007-1798 available by request