F816-0411 Screening compound: 2-methyl-4-(2-thienylmethyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

F816-0411 Screening compound: 2-methyl-4-(2-thienylmethyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
F816-0411 Screening compound: 2-methyl-4-(2-thienylmethyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F816-0411
2-methyl-4-(2-thienylmethyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

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

F816-0411

Molecular Formula

C13H10N4O2S2 (C13 H10 N4 O2 S2)

Compound Name

2-methyl-4-(2-thienylmethyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

IUPAC name

11-methyl-8-[(thiophen-2-yl)methyl]-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-triene-712-dione

SMILES

CN(C(N1c2c3scc2)=O)N=C1N(Cc1cccs1)C3=O

InChI

InChI=1S/C13H10N4O2S2/c1-15-13(19)17-9-4-6-21-10(9)11(18)16(12(17)14-15)7-8-3-2-5-20-8/h2-6H,7H2,1H3

InChI Key

MREQOUHOTDFITJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27194500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.130

Distribution Coefficient, logD

2.130

Water Solubility, LogSw

-2.42

Polar Surface Area

49.923

Acid Dissociation Constant (pKa)

27.70

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

F816-0411 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F816-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F816-0411?
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What is the minimum amount of F816-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F816-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F816-0411
  • 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 F816-0411 available by request