8610-0283 Screening compound: 8-chloro-4-(3,4-dimethoxyphenethyl)-7-fluoro-5-(2-propynyloxy)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione

8610-0283 Screening compound: 8-chloro-4-(3,4-dimethoxyphenethyl)-7-fluoro-5-(2-propynyloxy)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione
8610-0283 Screening compound: 8-chloro-4-(3,4-dimethoxyphenethyl)-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 8610-0283
8-chloro-4-(3,4-dimethoxyphenethyl)-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

8610-0283

Molecular Formula

C20H20ClFN2O5S (C20 H20 ClFN2 O5 S)

Compound Name

8-chloro-4-(3,4-dimethoxyphenethyl)-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-[2-(34-dimethoxyphenyl)ethyl]-7-fluoro-5-(prop-2-yn-1-yloxy)-2H3H4H-1lambda6-pyrido[43-b][14]thiazine-11-dione

SMILES

COc(ccc(CCN(CC1)c(c(OCC#C)nc(F)c2Cl)c2S1(=O)=O)c1)c1OC

InChI

InChI=1S/C20H20ClFN2O5S/c1-4-10-29-20-17-18(16(21)19(22)23-20)30(25,26)11-9-24(17)8-7-13-5-6-14(27-2)15(12-13)28-3/h1,5-6,12H,7-11H2,2-3H3

InChI Key

WQIYXUHCNQWYQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08052791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.762

Distribution Coefficient, logD

2.762

Water Solubility, LogSw

-3.70

Polar Surface Area

67.166

Acid Dissociation Constant (pKa)

21.39

Base Dissociation Constant (pKb)

-3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

8610-0283 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral HBV Library (10007 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8610-0283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8610-0283?
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What is the minimum amount of 8610-0283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0283
  • 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 8610-0283 available by request