F833-0738 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[9-(3,4-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetamide

F833-0738 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[9-(3,4-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetamide
F833-0738 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[9-(3,4-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F833-0738
N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[9-(3,4-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]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

F833-0738

Molecular Formula

C25H22N6O4 (C25 H22 N6 O4)

Compound Name

N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[9-(3,4-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-[11-(34-dimethylphenyl)-5-oxo-346910-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(12)2710-tetraen-4-yl]acetamide

SMILES

Cc(cc1)c(C)cc1-c1nn(C=CN(C2=NN3CC(Nc(cc4)cc5c4OCCO5)=O)C3=O)c2c1

InChI

InChI=1S/C25H22N6O4/c1-15-3-4-17(11-16(15)2)19-13-20-24-28-31(25(33)29(24)7-8-30(20)27-19)14-23(32)26-18-5-6-21-22(12-18)35-10-9-34-21/h3-8,11-13H,9-10,14H2,1-2H3,(H,26,32)

InChI Key

XZJCXXVFZOXKAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.613

Distribution Coefficient, logD

2.613

Water Solubility, LogSw

-2.88

Polar Surface Area

82.292

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F833-0738 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F833-0738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F833-0738?
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What is the minimum amount of F833-0738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F833-0738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F833-0738
  • 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 F833-0738 available by request