8610-0682 Screening compound: 4-{[5,8-difluoro-1,1-dioxo-7-piperidino-2,3-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-4(1H)-yl]methyl}-1-benzenesulfonamide

8610-0682 Screening compound: 4-{[5,8-difluoro-1,1-dioxo-7-piperidino-2,3-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-4(1H)-yl]methyl}-1-benzenesulfonamide
8610-0682 Screening compound: 4-{[5,8-difluoro-1,1-dioxo-7-piperidino-2,3-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-4(1H)-yl]methyl}-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8610-0682
4-{[5,8-difluoro-1,1-dioxo-7-piperidino-2,3-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-4(1H)-yl]methyl}-1-benzenesulfonamide

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

8610-0682

Molecular Formula

C19H22F2N4O4S2 (C19 H22 F2 N4 O4 S2)

Compound Name

4-{[5,8-difluoro-1,1-dioxo-7-piperidino-2,3-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-4(1H)-yl]methyl}-1-benzenesulfonamide

IUPAC name

4-{[58-difluoro-11-dioxo-7-(piperidin-1-yl)-2H3H4H-1lambda6-pyrido[43-b][14]thiazin-4-yl]methyl}benzene-1-sulfonamide

SMILES

NS(c1ccc(CN(CCS(c2c(c(N3CCCCC3)n3)F)(=O)=O)c2c3F)cc1)(=O)=O

InChI

InChI=1S/C19H22F2N4O4S2/c20-15-17-16(18(21)23-19(15)24-8-2-1-3-9-24)25(10-11-30(17,26)27)12-13-4-6-14(7-5-13)31(22,28)29/h4-7H,1-3,8-12H2,(H2,22,28,29)

InChI Key

QCFRXLCLWIHBGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08053477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.954

Distribution Coefficient, logD

1.953

Water Solubility, LogSw

-2.54

Polar Surface Area

97.740

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

8610-0682 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 8610-0682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8610-0682?
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What is the minimum amount of 8610-0682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0682
  • 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 8610-0682 available by request