F833-0977 Screening compound: 2-[9-(4-isopropylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]-N~1~-[4-(methylsulfanyl)benzyl]acetamide

F833-0977 Screening compound: 2-[9-(4-isopropylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]-N~1~-[4-(methylsulfanyl)benzyl]acetamide
F833-0977 Screening compound: 2-[9-(4-isopropylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]-N~1~-[4-(methylsulfanyl)benzyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F833-0977
2-[9-(4-isopropylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]-N~1~-[4-(methylsulfanyl)benzyl]acetamide

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

F833-0977

Molecular Formula

C26H26N6O2S (C26 H26 N6 O2 S)

Compound Name

2-[9-(4-isopropylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]-N~1~-[4-(methylsulfanyl)benzyl]acetamide

IUPAC name

N-{[4-(methylsulfanyl)phenyl]methyl}-2-{5-oxo-11-[4-(propan-2-yl)phenyl]-346910-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(12)2710-tetraen-4-yl}acetamide

SMILES

CC(C)c(cc1)ccc1-c1nn(C=CN(C2=NN3CC(NCc(cc4)ccc4SC)=O)C3=O)c2c1

InChI

InChI=1S/C26H26N6O2S/c1-17(2)19-6-8-20(9-7-19)22-14-23-25-29-32(26(34)30(25)12-13-31(23)28-22)16-24(33)27-15-18-4-10-21(35-3)11-5-18/h4-14,17H,15-16H2,1-3H3,(H,27,33)

InChI Key

PURNOQDJDXULKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27197634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.413

Distribution Coefficient, logD

4.413

Water Solubility, LogSw

-4.27

Polar Surface Area

67.791

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

F833-0977 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F833-0977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F833-0977?
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What is the minimum amount of F833-0977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F833-0977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F833-0977
  • 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 F833-0977 available by request