6187-0269 Screening compound: ethyl 6-[4-(benzyloxy)-3-methoxyphenyl]-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

6187-0269 Screening compound: ethyl 6-[4-(benzyloxy)-3-methoxyphenyl]-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
6187-0269 Screening compound: ethyl 6-[4-(benzyloxy)-3-methoxyphenyl]-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-0269
ethyl 6-[4-(benzyloxy)-3-methoxyphenyl]-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

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

6187-0269

Molecular Formula

C25H26N2O5S (C25 H26 N2 O5 S)

Compound Name

ethyl 6-[4-(benzyloxy)-3-methoxyphenyl]-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

IUPAC name

ethyl 6-[4-(benzyloxy)-3-methoxyphenyl]-8-methyl-4-oxo-2H3H4H6H-pyrimido[21-b][13]thiazine-7-carboxylate

SMILES

CCOC(C(C(c(cc1)cc(OC)c1OCc1ccccc1)N12)=C(C)N=C1SCCC2=O)=O

InChI

InChI=1S/C25H26N2O5S/c1-4-31-24(29)22-16(2)26-25-27(21(28)12-13-33-25)23(22)18-10-11-19(20(14-18)30-3)32-15-17-8-6-5-7-9-17/h5-11,14,23H,4,12-13,15H2,1-3H3/t23-/m1/s1

InChI Key

WWAPOLBJSPAIPV-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03497873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.768

Distribution Coefficient, logD

2.328

Water Solubility, LogSw

-3.97

Polar Surface Area

60.875

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

8.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

6187-0269 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 6187-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-0269?
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What is the minimum amount of 6187-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-0269
  • 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 6187-0269 available by request