8610-0250 Screening compound: 4-butyl-8-chloro-5-(4-methoxyphenoxy)-7-morpholino-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione

8610-0250 Screening compound: 4-butyl-8-chloro-5-(4-methoxyphenoxy)-7-morpholino-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione
8610-0250 Screening compound: 4-butyl-8-chloro-5-(4-methoxyphenoxy)-7-morpholino-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 8610-0250
4-butyl-8-chloro-5-(4-methoxyphenoxy)-7-morpholino-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

8610-0250

Molecular Formula

C22H28ClN3O5S (C22 H28 ClN3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(CC1)c(c(Oc(cc2)ccc2OC)nc(N2CCOCC2)c2Cl)c2S1(=O)=O

InChI

InChI=1S/C22H28ClN3O5S/c1-3-4-9-25-12-15-32(27,28)20-18(23)21(26-10-13-30-14-11-26)24-22(19(20)25)31-17-7-5-16(29-2)6-8-17/h5-8H,3-4,9-15H2,1-2H3

InChI Key

CFSGDTRWGFOFSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08053361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.360

Distribution Coefficient, logD

4.360

Water Solubility, LogSw

-4.68

Polar Surface Area

67.693

Acid Dissociation Constant (pKa)

21.39

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8610-0250 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral HBV Library (10007 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8610-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8610-0250?
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What is the minimum amount of 8610-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0250
  • 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 8610-0250 available by request