8610-0231 Screening compound: 4-{[4-butyl-8-chloro-7-(4-ethylpiperazino)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl]oxy}benzonitrile

8610-0231 Screening compound: 4-{[4-butyl-8-chloro-7-(4-ethylpiperazino)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl]oxy}benzonitrile
8610-0231 Screening compound: 4-{[4-butyl-8-chloro-7-(4-ethylpiperazino)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl]oxy}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8610-0231
4-{[4-butyl-8-chloro-7-(4-ethylpiperazino)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl]oxy}benzonitrile

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

8610-0231

Molecular Formula

C24H30ClN5O3S (C24 H30 ClN5 O3 S)

Compound Name

4-{[4-butyl-8-chloro-7-(4-ethylpiperazino)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl]oxy}benzonitrile

IUPAC name

4-{[4-butyl-8-chloro-7-(4-ethylpiperazin-1-yl)-11-dioxo-2H3H4H-1lambda6-pyrido[43-b][14]thiazin-5-yl]oxy}benzonitrile

SMILES

CCCCN(CC1)c(c(Oc(cc2)ccc2C#N)nc(N2CCN(CC)CC2)c2Cl)c2S1(=O)=O

InChI

InChI=1S/C24H30ClN5O3S/c1-3-5-10-29-15-16-34(31,32)22-20(25)23(30-13-11-28(4-2)12-14-30)27-24(21(22)29)33-19-8-6-18(17-26)7-9-19/h6-9H,3-5,10-16H2,1-2H3

InChI Key

JZMZWJWRFUTCLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08053337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.05

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.354

Distribution Coefficient, logD

4.035

Water Solubility, LogSw

-4.68

Polar Surface Area

72.834

Acid Dissociation Constant (pKa)

21.39

Base Dissociation Constant (pKb)

7.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8610-0231 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8610-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8610-0231?
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What is the minimum amount of 8610-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0231
  • 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 8610-0231 available by request