8610-0005 Screening compound: 8-chloro-7-fluoro-5-(2-fluorophenoxy)-4-(tetrahydro-2-furanylmethyl)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione

8610-0005 Screening compound: 8-chloro-7-fluoro-5-(2-fluorophenoxy)-4-(tetrahydro-2-furanylmethyl)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione
8610-0005 Screening compound: 8-chloro-7-fluoro-5-(2-fluorophenoxy)-4-(tetrahydro-2-furanylmethyl)-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 8610-0005
8-chloro-7-fluoro-5-(2-fluorophenoxy)-4-(tetrahydro-2-furanylmethyl)-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

8610-0005

Molecular Formula

C18H17ClF2N2O4S (C18 H17 ClF2 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=S1(c(c(Cl)c(nc2Oc(cccc3)c3F)F)c2N(CC2OCCC2)CC1)=O

InChI

InChI=1S/C18H17ClF2N2O4S/c19-14-16-15(18(22-17(14)21)27-13-6-2-1-5-12(13)20)23(7-9-28(16,24)25)10-11-4-3-8-26-11/h1-2,5-6,11H,3-4,7-10H2/t11-/m1/s1

InChI Key

FOKSRAMWFDUACF-LLVKDONJSA-N

MDL Number (MFCD)

MFCD08052910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.091

Distribution Coefficient, logD

3.091

Water Solubility, LogSw

-3.81

Polar Surface Area

59.998

Acid Dissociation Constant (pKa)

21.39

Base Dissociation Constant (pKb)

-3.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

8610-0005 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 8610-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8610-0005?
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What is the minimum amount of 8610-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0005
  • 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 8610-0005 available by request