F401-0553 Screening compound: 4-(tetrahydro-2-furanylmethyl)-1-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

F401-0553 Screening compound: 4-(tetrahydro-2-furanylmethyl)-1-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
F401-0553 Screening compound: 4-(tetrahydro-2-furanylmethyl)-1-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F401-0553
4-(tetrahydro-2-furanylmethyl)-1-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-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

F401-0553

Molecular Formula

C20H17F3N4O2S2 (C20 H17 F3 N4 O2 S2)

Compound Name

4-(tetrahydro-2-furanylmethyl)-1-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

IUPAC name

8-[(oxolan-2-yl)methyl]-12-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-7-one

SMILES

O=C(c(scc1)c1-n12)N(CC3OCCC3)c2nnc1SCc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C20H17F3N4O2S2/c21-20(22,23)13-4-1-3-12(9-13)11-31-19-25-24-18-26(10-14-5-2-7-29-14)17(28)16-15(27(18)19)6-8-30-16/h1,3-4,6,8-9,14H,2,5,7,10-11H2/t14-/m1/s1

InChI Key

BFNJNVQFSOSZMD-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27124379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.909

Distribution Coefficient, logD

3.909

Water Solubility, LogSw

-4.14

Polar Surface Area

48.985

Acid Dissociation Constant (pKa)

23.54

Base Dissociation Constant (pKb)

-4.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

F401-0553 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Immunological Library (6760 compounds)

Anti-HIV1 Library (19540 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F401-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F401-0553?
Check Price and Availability of F401-0553, 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 F401-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F401-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F401-0553
  • 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 F401-0553 available by request