8019-5865 Screening compound: methyl 2-(4-fluorobenzyl)-4-hydroxy-1,1-dioxo-1,2-dihydro-1lambda~6~-thieno[2,3-e][1,2]thiazine-3-carboxylate

8019-5865 Screening compound: methyl 2-(4-fluorobenzyl)-4-hydroxy-1,1-dioxo-1,2-dihydro-1lambda~6~-thieno[2,3-e][1,2]thiazine-3-carboxylate
8019-5865 Screening compound: methyl 2-(4-fluorobenzyl)-4-hydroxy-1,1-dioxo-1,2-dihydro-1lambda~6~-thieno[2,3-e][1,2]thiazine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5865
methyl 2-(4-fluorobenzyl)-4-hydroxy-1,1-dioxo-1,2-dihydro-1lambda~6~-thieno[2,3-e][1,2]thiazine-3-carboxylate

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

8019-5865

Molecular Formula

C15H12FNO5S2 (C15 H12 FNO5 S2)

Compound Name

methyl 2-(4-fluorobenzyl)-4-hydroxy-1,1-dioxo-1,2-dihydro-1lambda~6~-thieno[2,3-e][1,2]thiazine-3-carboxylate

IUPAC name

methyl 2-[(4-fluorophenyl)methyl]-4-hydroxy-11-dioxo-2H-1lambda6-thieno[23-e][12]thiazine-3-carboxylate

SMILES

COC(C(N(Cc(cc1)ccc1F)S(c1c2scc1)(=O)=O)=C2O)=O

InChI

InChI=1S/C15H12FNO5S2/c1-22-15(19)12-13(18)14-11(6-7-23-14)24(20,21)17(12)8-9-2-4-10(16)5-3-9/h2-7,18H,8H2,1H3

InChI Key

VWYOLFPTICRICJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09455056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.245

Distribution Coefficient, logD

-0.305

Water Solubility, LogSw

-2.52

Polar Surface Area

68.935

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

-8.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8019-5865 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 8019-5865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5865?
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What is the minimum amount of 8019-5865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5865
  • 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 8019-5865 available by request