F816-0893 Screening compound: 2-[2-(2-chlorophenyl)-2-oxoethyl]-4-isobutyl-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

F816-0893 Screening compound: 2-[2-(2-chlorophenyl)-2-oxoethyl]-4-isobutyl-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
F816-0893 Screening compound: 2-[2-(2-chlorophenyl)-2-oxoethyl]-4-isobutyl-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 F816-0893
2-[2-(2-chlorophenyl)-2-oxoethyl]-4-isobutyl-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

F816-0893

Molecular Formula

C19H17ClN4O3S (C19 H17 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(C(N1c2c3scc2)=NN(CC(c(cccc2)c2Cl)=O)C1=O)C3=O

InChI

InChI=1S/C19H17ClN4O3S/c1-11(2)9-22-17(26)16-14(7-8-28-16)24-18(22)21-23(19(24)27)10-15(25)12-5-3-4-6-13(12)20/h3-8,11H,9-10H2,1-2H3

InChI Key

HBPANQYRLANGAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27194644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.736

Distribution Coefficient, logD

3.736

Water Solubility, LogSw

-4.07

Polar Surface Area

62.472

Acid Dissociation Constant (pKa)

16.34

Base Dissociation Constant (pKb)

-3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

F816-0893 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)

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 F816-0893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F816-0893?
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What is the minimum amount of F816-0893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F816-0893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F816-0893
  • 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 F816-0893 available by request