F458-0253 Screening compound: 2-({7-methyl-5-oxo-4-[3-(propan-2-yloxy)propyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile

F458-0253 Screening compound: 2-({7-methyl-5-oxo-4-[3-(propan-2-yloxy)propyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile
F458-0253 Screening compound: 2-({7-methyl-5-oxo-4-[3-(propan-2-yloxy)propyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound F458-0253
2-({7-methyl-5-oxo-4-[3-(propan-2-yloxy)propyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile

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

F458-0253

Molecular Formula

C18H21N5O2S (C18 H21 N5 O2 S)

Compound Name

2-({7-methyl-5-oxo-4-[3-(propan-2-yloxy)propyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile

IUPAC name

2-({7-methyl-5-oxo-4-[3-(propan-2-yloxy)propyl]-4H5H-[124]triazolo[43-a]quinazolin-1-yl}sulfanyl)acetonitrile

SMILES

CC(C)OCCCN(c(n1-c2c3cc(C)cc2)nnc1SCC#N)C3=O

InChI

InChI=1S/C18H21N5O2S/c1-12(2)25-9-4-8-22-16(24)14-11-13(3)5-6-15(14)23-17(22)20-21-18(23)26-10-7-19/h5-6,11-12H,4,8-10H2,1-3H3

InChI Key

QGAFCSZAVVMGMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14954973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.183

Distribution Coefficient, logD

2.183

Water Solubility, LogSw

-2.87

Polar Surface Area

64.526

Acid Dissociation Constant (pKa)

20.07

Base Dissociation Constant (pKb)

-4.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

F458-0253 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with F458-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F458-0253?
Check Price and Availability of F458-0253, 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 F458-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F458-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F458-0253
  • 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 F458-0253 available by request