F401-0485 Screening compound: 1-(butylsulfanyl)-4-(4-isopropylbenzyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

F401-0485 Screening compound: 1-(butylsulfanyl)-4-(4-isopropylbenzyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
F401-0485 Screening compound: 1-(butylsulfanyl)-4-(4-isopropylbenzyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F401-0485
1-(butylsulfanyl)-4-(4-isopropylbenzyl)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

F401-0485

Molecular Formula

C21H24N4OS2 (C21 H24 N4 OS2)

Compound Name

1-(butylsulfanyl)-4-(4-isopropylbenzyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

IUPAC name

12-(butylsulfanyl)-8-{[4-(propan-2-yl)phenyl]methyl}-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-7-one

SMILES

CCCCSc(n1-c2c3scc2)nnc1N(Cc1ccc(C(C)C)cc1)C3=O

InChI

InChI=1S/C21H24N4OS2/c1-4-5-11-28-21-23-22-20-24(13-15-6-8-16(9-7-15)14(2)3)19(26)18-17(25(20)21)10-12-27-18/h6-10,12,14H,4-5,11,13H2,1-3H3

InChI Key

PAJXNHMEQQLRQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27124323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.982

Distribution Coefficient, logD

5.982

Water Solubility, LogSw

-5.39

Polar Surface Area

40.602

Acid Dissociation Constant (pKa)

22.24

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

F401-0485 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F401-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F401-0485?
Check Price and Availability of F401-0485, 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 F401-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F401-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F401-0485
  • 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 F401-0485 available by request