F472-0788 Screening compound: N-(butan-2-yl)-1-{[(2-fluorophenyl)methyl]sulfanyl}-4-methyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F472-0788 Screening compound: N-(butan-2-yl)-1-{[(2-fluorophenyl)methyl]sulfanyl}-4-methyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F472-0788 Screening compound: N-(butan-2-yl)-1-{[(2-fluorophenyl)methyl]sulfanyl}-4-methyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F472-0788
N-(butan-2-yl)-1-{[(2-fluorophenyl)methyl]sulfanyl}-4-methyl-5-oxo-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

F472-0788

Molecular Formula

C22H22FN5O2S (C22 H22 FN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)NC(c(cc1)cc(-n2c(SCc(cccc3)c3F)nnc2N2C)c1C2=O)=O

InChI

InChI=1S/C22H22FN5O2S/c1-4-13(2)24-19(29)14-9-10-16-18(11-14)28-21(27(3)20(16)30)25-26-22(28)31-12-15-7-5-6-8-17(15)23/h5-11,13H,4,12H2,1-3H3,(H,24,29)/t13-/m0/s1

InChI Key

WIJCRHDQGKCSJH-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27132685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.956

Distribution Coefficient, logD

2.956

Water Solubility, LogSw

-3.63

Polar Surface Area

63.476

Acid Dissociation Constant (pKa)

14.43

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

F472-0788 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F472-0788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F472-0788?
Check Price and Availability of F472-0788, 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 F472-0788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F472-0788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F472-0788
  • 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 F472-0788 available by request