F816-0913 Screening compound: 4-butyl-2-[2-(3-methoxyphenyl)-2-oxoethyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

F816-0913 Screening compound: 4-butyl-2-[2-(3-methoxyphenyl)-2-oxoethyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
F816-0913 Screening compound: 4-butyl-2-[2-(3-methoxyphenyl)-2-oxoethyl]-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 F816-0913
4-butyl-2-[2-(3-methoxyphenyl)-2-oxoethyl]-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

F816-0913

Molecular Formula

C20H20N4O4S (C20 H20 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C(N1c2c3scc2)=NN(CC(c2cc(OC)ccc2)=O)C1=O)C3=O

InChI

InChI=1S/C20H20N4O4S/c1-3-4-9-22-18(26)17-15(8-10-29-17)24-19(22)21-23(20(24)27)12-16(25)13-6-5-7-14(11-13)28-2/h5-8,10-11H,3-4,9,12H2,1-2H3

InChI Key

PEWOLZVJUKCPBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27194654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.486

Distribution Coefficient, logD

3.486

Water Solubility, LogSw

-3.84

Polar Surface Area

69.994

Acid Dissociation Constant (pKa)

16.34

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

F816-0913 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F816-0913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F816-0913?
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What is the minimum amount of F816-0913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F816-0913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F816-0913
  • 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 F816-0913 available by request