F833-1045 Screening compound: 2-[9-(2,5-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]-N~1~-(5-fluoro-2-methylphenyl)acetamide

F833-1045 Screening compound: 2-[9-(2,5-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]-N~1~-(5-fluoro-2-methylphenyl)acetamide
F833-1045 Screening compound: 2-[9-(2,5-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]-N~1~-(5-fluoro-2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F833-1045
2-[9-(2,5-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]-N~1~-(5-fluoro-2-methylphenyl)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

F833-1045

Molecular Formula

C24H21FN6O2 (C24 H21 FN6 O2)

Compound Name

2-[9-(2,5-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]-N~1~-(5-fluoro-2-methylphenyl)acetamide

IUPAC name

2-[11-(25-dimethylphenyl)-5-oxo-346910-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(12)2710-tetraen-4-yl]-N-(5-fluoro-2-methylphenyl)acetamide

SMILES

Cc1cc(-c2nn(C=CN(C3=NN4CC(Nc5c(C)ccc(F)c5)=O)C4=O)c3c2)c(C)cc1

InChI

InChI=1S/C24H21FN6O2/c1-14-4-5-15(2)18(10-14)20-12-21-23-28-31(24(33)29(23)8-9-30(21)27-20)13-22(32)26-19-11-17(25)7-6-16(19)3/h4-12H,13H2,1-3H3,(H,26,32)

InChI Key

FEQSRZSXHBJGMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27197682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.302

Distribution Coefficient, logD

3.302

Water Solubility, LogSw

-3.48

Polar Surface Area

65.771

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F833-1045 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F833-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F833-1045?
Check Price and Availability of F833-1045, 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 F833-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F833-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F833-1045
  • 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 F833-1045 available by request