7745-1521 Screening compound: 4-[2-({5-benzyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)ethyl]morpholine

7745-1521 Screening compound: 4-[2-({5-benzyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)ethyl]morpholine
7745-1521 Screening compound: 4-[2-({5-benzyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)ethyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7745-1521
4-[2-({5-benzyl-8-fluoro-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

7745-1521

Molecular Formula

C22H22FN5OS (C22 H22 FN5 OS)

Compound Name

4-[2-({5-benzyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)ethyl]morpholine

IUPAC name

4-[2-({5-benzyl-8-fluoro-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)ethyl]morpholine

SMILES

Fc(cc1)cc2c1n(Cc1ccccc1)c1nc(SCCN3CCOCC3)nnc12

InChI

InChI=1S/C22H22FN5OS/c23-17-6-7-19-18(14-17)20-21(28(19)15-16-4-2-1-3-5-16)24-22(26-25-20)30-13-10-27-8-11-29-12-9-27/h1-7,14H,8-13,15H2

InChI Key

MNQANISLFLTXTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06609378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.538

Distribution Coefficient, logD

3.425

Water Solubility, LogSw

-3.70

Polar Surface Area

44.598

Acid Dissociation Constant (pKa)

23.11

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

7745-1521 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

PI3K-Targeted Library (17255 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 7745-1521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7745-1521?
Check Price and Availability of 7745-1521, 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 7745-1521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7745-1521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7745-1521
  • 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 7745-1521 available by request