F458-0096 Screening compound: 1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[(4-fluorophenyl)methyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

F458-0096 Screening compound: 1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[(4-fluorophenyl)methyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
F458-0096 Screening compound: 1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[(4-fluorophenyl)methyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F458-0096
1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[(4-fluorophenyl)methyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

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

F458-0096

Molecular Formula

C23H15ClF2N4OS (C23 H15 ClF2 N4 OS)

Compound Name

1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[(4-fluorophenyl)methyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

IUPAC name

1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[(4-fluorophenyl)methyl]-4H5H-[124]triazolo[43-a]quinazolin-5-one

SMILES

O=C(c(cccc1)c1-n12)N(Cc(cc3)ccc3F)c2nnc1SCc(ccc(F)c1)c1Cl

InChI

InChI=1S/C23H15ClF2N4OS/c24-19-11-17(26)10-7-15(19)13-32-23-28-27-22-29(12-14-5-8-16(25)9-6-14)21(31)18-3-1-2-4-20(18)30(22)23/h1-11H,12-13H2

InChI Key

AYQFQYOMBAYXEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14954931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.426

Distribution Coefficient, logD

5.426

Water Solubility, LogSw

-5.90

Polar Surface Area

39.312

Acid Dissociation Constant (pKa)

20.95

Base Dissociation Constant (pKb)

-4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

F458-0096 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with F458-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F458-0096?
Check Price and Availability of F458-0096, 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 F458-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F458-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F458-0096
  • 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 F458-0096 available by request