8610-0287 Screening compound: 8-chloro-4-cyclohexyl-7-fluoro-5-(2-propynyloxy)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione

8610-0287 Screening compound: 8-chloro-4-cyclohexyl-7-fluoro-5-(2-propynyloxy)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione
8610-0287 Screening compound: 8-chloro-4-cyclohexyl-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 8610-0287
8-chloro-4-cyclohexyl-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

8610-0287

Molecular Formula

C16H18ClFN2O3S (C16 H18 ClFN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

C#CCOc(c(N(CC1)C2CCCCC2)c2S1(=O)=O)nc(F)c2Cl

InChI

InChI=1S/C16H18ClFN2O3S/c1-2-9-23-16-13-14(12(17)15(18)19-16)24(21,22)10-8-20(13)11-6-4-3-5-7-11/h1,11H,3-10H2

InChI Key

XLPQFZBLGAPXNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08052714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.442

Distribution Coefficient, logD

3.442

Water Solubility, LogSw

-4.11

Polar Surface Area

51.314

Acid Dissociation Constant (pKa)

21.39

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

8610-0287 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8610-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8610-0287?
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What is the minimum amount of 8610-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0287
  • 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 8610-0287 available by request