F831-1086 Screening compound: 1-[3,4-dihydro-1(2H)-quinolinyl]-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-ethanone

F831-1086 Screening compound: 1-[3,4-dihydro-1(2H)-quinolinyl]-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-ethanone
F831-1086 Screening compound: 1-[3,4-dihydro-1(2H)-quinolinyl]-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F831-1086
1-[3,4-dihydro-1(2H)-quinolinyl]-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-ethanone

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

F831-1086

Molecular Formula

C25H22N6O2S (C25 H22 N6 O2 S)

Compound Name

1-[3,4-dihydro-1(2H)-quinolinyl]-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-ethanone

IUPAC name

2-{[11-(4-methoxyphenyl)-346910-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(12)24710-pentaen-5-yl]sulfanyl}-1-(1234-tetrahydroquinolin-1-yl)ethan-1-one

SMILES

COc(cc1)ccc1-c1nn(ccn2c(SCC(N(CCC3)c4c3cccc4)=O)nnc22)c2c1

InChI

InChI=1S/C25H22N6O2S/c1-33-19-10-8-17(9-11-19)20-15-22-24-26-27-25(30(24)13-14-31(22)28-20)34-16-23(32)29-12-4-6-18-5-2-3-7-21(18)29/h2-3,5,7-11,13-15H,4,6,12,16H2,1H3

InChI Key

WSFWKFWEBQOWTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.637

Distribution Coefficient, logD

3.592

Water Solubility, LogSw

-3.95

Polar Surface Area

55.909

Acid Dissociation Constant (pKa)

17.94

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F831-1086 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CNS Targets (44014 compounds)

MCL1 Targeted Library (12200 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with F831-1086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-1086?
Check Price and Availability of F831-1086, 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 F831-1086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-1086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-1086
  • 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 F831-1086 available by request