7745-1496 Screening compound: 8-fluoro-3-[(2-phenylethyl)sulfanyl]-5-propyl-5H-[1,2,4]triazino[5,6-b]indole

7745-1496 Screening compound: 8-fluoro-3-[(2-phenylethyl)sulfanyl]-5-propyl-5H-[1,2,4]triazino[5,6-b]indole
7745-1496 Screening compound: 8-fluoro-3-[(2-phenylethyl)sulfanyl]-5-propyl-5H-[1,2,4]triazino[5,6-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 7745-1496
8-fluoro-3-[(2-phenylethyl)sulfanyl]-5-propyl-5H-[1,2,4]triazino[5,6-b]indole

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

7745-1496

Molecular Formula

C20H19FN4S (C20 H19 FN4 S)

Compound Name

8-fluoro-3-[(2-phenylethyl)sulfanyl]-5-propyl-5H-[1,2,4]triazino[5,6-b]indole

IUPAC name

8-fluoro-3-[(2-phenylethyl)sulfanyl]-5-propyl-5H-[124]triazino[56-b]indole

SMILES

CCCn1c2nc(SCCc3ccccc3)nnc2c2c1ccc(F)c2

InChI

InChI=1S/C20H19FN4S/c1-2-11-25-17-9-8-15(21)13-16(17)18-19(25)22-20(24-23-18)26-12-10-14-6-4-3-5-7-14/h3-9,13H,2,10-12H2,1H3

InChI Key

GPAZXYSJSVGGBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.260

Distribution Coefficient, logD

5.260

Water Solubility, LogSw

-5.36

Polar Surface Area

32.957

Acid Dissociation Constant (pKa)

22.22

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

7745-1496 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7745-1496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7745-1496?
Check Price and Availability of 7745-1496, 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 7745-1496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7745-1496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7745-1496
  • 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 7745-1496 available by request