F401-0453 Screening compound: 1-[(2,5-dimethylbenzyl)sulfanyl]-4-(2-thienylmethyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

F401-0453 Screening compound: 1-[(2,5-dimethylbenzyl)sulfanyl]-4-(2-thienylmethyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
F401-0453 Screening compound: 1-[(2,5-dimethylbenzyl)sulfanyl]-4-(2-thienylmethyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F401-0453
1-[(2,5-dimethylbenzyl)sulfanyl]-4-(2-thienylmethyl)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

F401-0453

Molecular Formula

C21H18N4OS3 (C21 H18 N4 OS3)

Compound Name

1-[(2,5-dimethylbenzyl)sulfanyl]-4-(2-thienylmethyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

IUPAC name

12-{[(25-dimethylphenyl)methyl]sulfanyl}-8-[(thiophen-2-yl)methyl]-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-7-one

SMILES

Cc1cc(CSc(n2-c3c4scc3)nnc2N(Cc2cccs2)C4=O)c(C)cc1

InChI

InChI=1S/C21H18N4OS3/c1-13-5-6-14(2)15(10-13)12-29-21-23-22-20-24(11-16-4-3-8-27-16)19(26)18-17(25(20)21)7-9-28-18/h3-10H,11-12H2,1-2H3

InChI Key

HHGIPLWJFHASHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27124298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.6

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

5.594

Distribution Coefficient, logD

5.594

Water Solubility, LogSw

-5.29

Polar Surface Area

41.349

Acid Dissociation Constant (pKa)

24.16

Base Dissociation Constant (pKb)

-3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

F401-0453 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F401-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F401-0453?
Check Price and Availability of F401-0453, 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 F401-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F401-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F401-0453
  • 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 F401-0453 available by request