F832-0789 Screening compound: 3-[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]-N~1~-(1-phenylethyl)propanamide

F832-0789 Screening compound: 3-[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]-N~1~-(1-phenylethyl)propanamide
F832-0789 Screening compound: 3-[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]-N~1~-(1-phenylethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F832-0789
3-[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]-N~1~-(1-phenylethyl)propanamide

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

F832-0789

Molecular Formula

C28H30N6O2 (C28 H30 N6 O2)

Compound Name

3-[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]-N~1~-(1-phenylethyl)propanamide

IUPAC name

3-[11-(4-butoxyphenyl)-346910-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(12)24710-pentaen-5-yl]-N-(1-phenylethyl)propanamide

SMILES

CCCCOc(cc1)ccc1-c1nn(ccn2c3nnc2CCC(NC(C)c2ccccc2)=O)c3c1

InChI

InChI=1S/C28H30N6O2/c1-3-4-18-36-23-12-10-22(11-13-23)24-19-25-28-31-30-26(33(28)16-17-34(25)32-24)14-15-27(35)29-20(2)21-8-6-5-7-9-21/h5-13,16-17,19-20H,3-4,14-15,18H2,1-2H3,(H,29,35)/t20-/m0/s1

InChI Key

HYVORBSGXJTAHE-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27197350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.015

Distribution Coefficient, logD

3.948

Water Solubility, LogSw

-3.99

Polar Surface Area

64.755

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

6.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

F832-0789 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Glucocorticoid receptors Library (4806 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with F832-0789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F832-0789?
Check Price and Availability of F832-0789, 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 F832-0789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F832-0789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F832-0789
  • 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 F832-0789 available by request