8610-0081 Screening compound: 4-benzyl-8-chloro-7-fluoro-5-(2-propynyloxy)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione

8610-0081 Screening compound: 4-benzyl-8-chloro-7-fluoro-5-(2-propynyloxy)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione
8610-0081 Screening compound: 4-benzyl-8-chloro-7-fluoro-5-(2-propynyloxy)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8610-0081
4-benzyl-8-chloro-7-fluoro-5-(2-propynyloxy)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-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

8610-0081

Molecular Formula

C17H14ClFN2O3S (C17 H14 ClFN2 O3 S)

Compound Name

4-benzyl-8-chloro-7-fluoro-5-(2-propynyloxy)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione

IUPAC name

4-benzyl-8-chloro-7-fluoro-5-(prop-2-yn-1-yloxy)-2H3H4H-1lambda6-pyrido[43-b][14]thiazine-11-dione

SMILES

C#CCOc(c(N(Cc1ccccc1)CC1)c2S1(=O)=O)nc(F)c2Cl

InChI

InChI=1S/C17H14ClFN2O3S/c1-2-9-24-17-14-15(13(18)16(19)20-17)25(22,23)10-8-21(14)11-12-6-4-3-5-7-12/h1,3-7H,8-11H2

InChI Key

HDRUWAAJGOKLCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08052725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.981

Distribution Coefficient, logD

2.981

Water Solubility, LogSw

-3.68

Polar Surface Area

51.927

Acid Dissociation Constant (pKa)

21.39

Base Dissociation Constant (pKb)

-5.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

8610-0081 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8610-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8610-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0081
  • 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 8610-0081 available by request