F472-0822 Screening compound: N-(butan-2-yl)-4-methyl-5-oxo-1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F472-0822 Screening compound: N-(butan-2-yl)-4-methyl-5-oxo-1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F472-0822 Screening compound: N-(butan-2-yl)-4-methyl-5-oxo-1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F472-0822
N-(butan-2-yl)-4-methyl-5-oxo-1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

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

F472-0822

Molecular Formula

C26H28N6O3S (C26 H28 N6 O3 S)

Compound Name

N-(butan-2-yl)-4-methyl-5-oxo-1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

IUPAC name

N-(butan-2-yl)-4-methyl-5-oxo-1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)-4H5H-[124]triazolo[43-a]quinazoline-8-carboxamide

SMILES

CCC(C)NC(c(cc1)cc(-n2c(SCc(cc3)ccc3N(CCC3)C3=O)nnc2N2C)c1C2=O)=O

InChI

InChI=1S/C26H28N6O3S/c1-4-16(2)27-23(34)18-9-12-20-21(14-18)32-25(30(3)24(20)35)28-29-26(32)36-15-17-7-10-19(11-8-17)31-13-5-6-22(31)33/h7-12,14,16H,4-6,13,15H2,1-3H3,(H,27,34)/t16-/m0/s1

InChI Key

AXIPZYVSZAIHGE-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27132711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.179

Distribution Coefficient, logD

2.179

Water Solubility, LogSw

-3.00

Polar Surface Area

80.292

Acid Dissociation Constant (pKa)

14.43

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

F472-0822 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with F472-0822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F472-0822?
Check Price and Availability of F472-0822, 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 F472-0822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F472-0822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F472-0822
  • 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 F472-0822 available by request