8610-0113 Screening compound: 4-butyl-8-chloro-5-(4-fluorophenoxy)-7-(1-naphthyloxy)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione

8610-0113 Screening compound: 4-butyl-8-chloro-5-(4-fluorophenoxy)-7-(1-naphthyloxy)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione
8610-0113 Screening compound: 4-butyl-8-chloro-5-(4-fluorophenoxy)-7-(1-naphthyloxy)-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 8610-0113
4-butyl-8-chloro-5-(4-fluorophenoxy)-7-(1-naphthyloxy)-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

8610-0113

Molecular Formula

C27H24ClFN2O4S (C27 H24 ClFN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(CC1)c(c(Oc(cc2)ccc2F)nc(Oc2cccc3ccccc23)c2Cl)c2S1(=O)=O

InChI

InChI=1S/C27H24ClFN2O4S/c1-2-3-15-31-16-17-36(32,33)25-23(28)26(35-22-10-6-8-18-7-4-5-9-21(18)22)30-27(24(25)31)34-20-13-11-19(29)12-14-20/h4-14H,2-3,15-17H2,1H3

InChI Key

NKOBMTNYYORMGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08053129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.147

Distribution Coefficient, logD

7.147

Water Solubility, LogSw

-6.79

Polar Surface Area

56.176

Acid Dissociation Constant (pKa)

21.39

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8610-0113 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 8610-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8610-0113?
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What is the minimum amount of 8610-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0113
  • 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 8610-0113 available by request