8610-0248 Screening compound: 4-butyl-8-chloro-7-(4-ethylpiperazino)-5-(4-methoxyphenoxy)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione

8610-0248 Screening compound: 4-butyl-8-chloro-7-(4-ethylpiperazino)-5-(4-methoxyphenoxy)-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione
8610-0248 Screening compound: 4-butyl-8-chloro-7-(4-ethylpiperazino)-5-(4-methoxyphenoxy)-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 8610-0248
4-butyl-8-chloro-7-(4-ethylpiperazino)-5-(4-methoxyphenoxy)-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

8610-0248

Molecular Formula

C24H33ClN4O4S (C24 H33 ClN4 O4 S)

Compound Name

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

IUPAC name

4-butyl-8-chloro-7-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenoxy)-2H3H4H-1lambda6-pyrido[43-b][14]thiazine-11-dione

SMILES

CCCCN(CC1)c(c(Oc(cc2)ccc2OC)nc(N2CCN(CC)CC2)c2Cl)c2S1(=O)=O

InChI

InChI=1S/C24H33ClN4O4S/c1-4-6-11-28-16-17-34(30,31)22-20(25)23(29-14-12-27(5-2)13-15-29)26-24(21(22)28)33-19-9-7-18(32-3)8-10-19/h7-10H,4-6,11-17H2,1-3H3

InChI Key

OGNKMSXVZWQFTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08053358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.07

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

4.681

Distribution Coefficient, logD

4.363

Water Solubility, LogSw

-4.80

Polar Surface Area

63.321

Acid Dissociation Constant (pKa)

21.39

Base Dissociation Constant (pKb)

7.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

8610-0248 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)

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 8610-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8610-0248?
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What is the minimum amount of 8610-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0248
  • 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 8610-0248 available by request