F816-0544 Screening compound: 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-(4-isopropylbenzyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

F816-0544 Screening compound: 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-(4-isopropylbenzyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
F816-0544 Screening compound: 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-(4-isopropylbenzyl)-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 F816-0544
2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-(4-isopropylbenzyl)-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

F816-0544

Molecular Formula

C27H26N4O3S (C27 H26 N4 O3 S)

Compound Name

2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-(4-isopropylbenzyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

IUPAC name

11-[2-(24-dimethylphenyl)-2-oxoethyl]-8-{[4-(propan-2-yl)phenyl]methyl}-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-triene-712-dione

SMILES

CC(C)c1ccc(CN(C(N2c3c4scc3)=NN(CC(c3c(C)cc(C)cc3)=O)C2=O)C4=O)cc1

InChI

InChI=1S/C27H26N4O3S/c1-16(2)20-8-6-19(7-9-20)14-29-25(33)24-22(11-12-35-24)31-26(29)28-30(27(31)34)15-23(32)21-10-5-17(3)13-18(21)4/h5-13,16H,14-15H2,1-4H3

InChI Key

MFJPRAUVIRBXTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27194598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.924

Distribution Coefficient, logD

5.924

Water Solubility, LogSw

-5.46

Polar Surface Area

62.201

Acid Dissociation Constant (pKa)

16.34

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

F816-0544 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • Others
  • GPCR
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F816-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F816-0544?
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What is the minimum amount of F816-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F816-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F816-0544
  • 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 F816-0544 available by request