7745-1475 Screening compound: diethyl[2-({8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)ethyl]amine

7745-1475 Screening compound: diethyl[2-({8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)ethyl]amine
7745-1475 Screening compound: diethyl[2-({8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)ethyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7745-1475
diethyl[2-({8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)ethyl]amine

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

7745-1475

Molecular Formula

C16H20FN5S (C16 H20 FN5 S)

Compound Name

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

IUPAC name

diethyl[2-({8-fluoro-5-methyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)ethyl]amine

SMILES

CCN(CC)CCSc1nnc(c(cc(cc2)F)c2n2C)c2n1

InChI

InChI=1S/C16H20FN5S/c1-4-22(5-2)8-9-23-16-18-15-14(19-20-16)12-10-11(17)6-7-13(12)21(15)3/h6-7,10H,4-5,8-9H2,1-3H3

InChI Key

CBDNCFPVVCMFOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06596835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.43

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

2.808

Distribution Coefficient, logD

0.768

Water Solubility, LogSw

-2.83

Polar Surface Area

37.471

Acid Dissociation Constant (pKa)

23.11

Base Dissociation Constant (pKb)

9.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

7745-1475 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

CNS Annotated Library (688 compounds)

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7745-1475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7745-1475?
Check Price and Availability of 7745-1475, 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 7745-1475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7745-1475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7745-1475
  • 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 7745-1475 available by request