8610-0007 Screening compound: 8-chloro-7-fluoro-5-[4-(methylamino)phenoxy]-4-(tetrahydro-2-furanylmethyl)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione

8610-0007 Screening compound: 8-chloro-7-fluoro-5-[4-(methylamino)phenoxy]-4-(tetrahydro-2-furanylmethyl)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione
8610-0007 Screening compound: 8-chloro-7-fluoro-5-[4-(methylamino)phenoxy]-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 8610-0007
8-chloro-7-fluoro-5-[4-(methylamino)phenoxy]-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

8610-0007

Molecular Formula

C19H21ClFN3O4S (C19 H21 ClFN3 O4 S)

Compound Name

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

SMILES

CNc(cc1)ccc1Oc(c(N(CC1OCCC1)CC1)c2S1(=O)=O)nc(F)c2Cl

InChI

InChI=1S/C19H21ClFN3O4S/c1-22-12-4-6-13(7-5-12)28-19-16-17(15(20)18(21)23-19)29(25,26)10-8-24(16)11-14-3-2-9-27-14/h4-7,14,22H,2-3,8-11H2,1H3/t14-/m1/s1

InChI Key

OJQNKYAUQBQNBE-CQSZACIVSA-N

MDL Number (MFCD)

MFCD08052912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.760

Distribution Coefficient, logD

2.760

Water Solubility, LogSw

-3.97

Polar Surface Area

70.568

Acid Dissociation Constant (pKa)

21.39

Base Dissociation Constant (pKb)

8.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

8610-0007 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 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 8610-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8610-0007?
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What is the minimum amount of 8610-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0007
  • 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 8610-0007 available by request