8610-0274 Screening compound: 8-chloro-7-fluoro-4-phenethyl-5-(tetrahydro-2-furanylmethoxy)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione

8610-0274 Screening compound: 8-chloro-7-fluoro-4-phenethyl-5-(tetrahydro-2-furanylmethoxy)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione
8610-0274 Screening compound: 8-chloro-7-fluoro-4-phenethyl-5-(tetrahydro-2-furanylmethoxy)-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 8610-0274
8-chloro-7-fluoro-4-phenethyl-5-(tetrahydro-2-furanylmethoxy)-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

8610-0274

Molecular Formula

C20H22ClFN2O4S (C20 H22 ClFN2 O4 S)

Compound Name

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

IUPAC name

8-chloro-7-fluoro-5-[(oxolan-2-yl)methoxy]-4-(2-phenylethyl)-2H3H4H-1lambda6-pyrido[43-b][14]thiazine-11-dione

SMILES

O=S1(c(c(Cl)c(nc2OCC3OCCC3)F)c2N(CCc2ccccc2)CC1)=O

InChI

InChI=1S/C20H22ClFN2O4S/c21-16-18-17(20(23-19(16)22)28-13-15-7-4-11-27-15)24(10-12-29(18,25)26)9-8-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2/t15-/m1/s1

InChI Key

PNFLWJMCUCGBRH-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD08052781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.309

Distribution Coefficient, logD

3.309

Water Solubility, LogSw

-4.04

Polar Surface Area

60.370

Acid Dissociation Constant (pKa)

21.39

Base Dissociation Constant (pKb)

-2.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

8610-0274 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8610-0274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8610-0274?
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What is the minimum amount of 8610-0274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0274
  • 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 8610-0274 available by request