F816-0884 Screening compound: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-4-isopentyl-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

F816-0884 Screening compound: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-4-isopentyl-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
F816-0884 Screening compound: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-4-isopentyl-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 F816-0884
2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-4-isopentyl-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

F816-0884

Molecular Formula

C22H24N4O5S (C22 H24 N4 O5 S)

Compound Name

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

IUPAC name

11-[2-(34-dimethoxyphenyl)-2-oxoethyl]-8-(3-methylbutyl)-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-triene-712-dione

SMILES

CC(C)CCN(C(N1c2c3scc2)=NN(CC(c(cc2)cc(OC)c2OC)=O)C1=O)C3=O

InChI

InChI=1S/C22H24N4O5S/c1-13(2)7-9-24-20(28)19-15(8-10-32-19)26-21(24)23-25(22(26)29)12-16(27)14-5-6-17(30-3)18(11-14)31-4/h5-6,8,10-11,13H,7,9,12H2,1-4H3

InChI Key

KUWUAVLMYINDQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27194640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.363

Distribution Coefficient, logD

3.363

Water Solubility, LogSw

-3.70

Polar Surface Area

77.711

Acid Dissociation Constant (pKa)

16.34

Base Dissociation Constant (pKb)

-3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

F816-0884 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein Arginine Methyltransferases Library (27925 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
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F816-0884 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F816-0884?
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What is the minimum amount of F816-0884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F816-0884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F816-0884
  • 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 F816-0884 available by request