8610-0091 Screening compound: 4-benzyl-8-chloro-7-(2-fluorophenoxy)-5-(4-fluorophenoxy)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione

8610-0091 Screening compound: 4-benzyl-8-chloro-7-(2-fluorophenoxy)-5-(4-fluorophenoxy)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione
8610-0091 Screening compound: 4-benzyl-8-chloro-7-(2-fluorophenoxy)-5-(4-fluorophenoxy)-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 8610-0091
4-benzyl-8-chloro-7-(2-fluorophenoxy)-5-(4-fluorophenoxy)-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

8610-0091

Molecular Formula

C26H19ClF2N2O4S (C26 H19 ClF2 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=S1(c(c(Cl)c(nc2Oc(cc3)ccc3F)Oc(cccc3)c3F)c2N(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C26H19ClF2N2O4S/c27-22-24-23(31(14-15-36(24,32)33)16-17-6-2-1-3-7-17)26(34-19-12-10-18(28)11-13-19)30-25(22)35-21-9-5-4-8-20(21)29/h1-13H,14-16H2

InChI Key

GQCHQOLHFKFLJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08053032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.96

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

5.973

Distribution Coefficient, logD

5.973

Water Solubility, LogSw

-6.34

Polar Surface Area

56.197

Acid Dissociation Constant (pKa)

21.39

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

8610-0091 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 8610-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8610-0091?
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What is the minimum amount of 8610-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0091
  • 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 8610-0091 available by request