F833-0591 Screening compound: ethyl 3-({2-[9-(4-chlorophenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetyl}amino)benzoate

F833-0591 Screening compound: ethyl 3-({2-[9-(4-chlorophenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetyl}amino)benzoate
F833-0591 Screening compound: ethyl 3-({2-[9-(4-chlorophenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F833-0591
ethyl 3-({2-[9-(4-chlorophenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetyl}amino)benzoate

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

F833-0591

Molecular Formula

C24H19ClN6O4 (C24 H19 ClN6 O4)

Compound Name

ethyl 3-({2-[9-(4-chlorophenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetyl}amino)benzoate

IUPAC name

ethyl 3-{2-[11-(4-chlorophenyl)-5-oxo-346910-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(12)2710-tetraen-4-yl]acetamido}benzoate

SMILES

CCOC(c1cccc(NC(CN2N=C(c3cc(-c(cc4)ccc4Cl)nn3C=C3)N3C2=O)=O)c1)=O

InChI

InChI=1S/C24H19ClN6O4/c1-2-35-23(33)16-4-3-5-18(12-16)26-21(32)14-31-24(34)29-10-11-30-20(22(29)28-31)13-19(27-30)15-6-8-17(25)9-7-15/h3-13H,2,14H2,1H3,(H,26,32)

InChI Key

MGZJLFBHRQKJOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27197559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.91

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.155

Distribution Coefficient, logD

4.155

Water Solubility, LogSw

-4.49

Polar Surface Area

87.222

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

F833-0591 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 F833-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F833-0591?
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What is the minimum amount of F833-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F833-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F833-0591
  • 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 F833-0591 available by request