6187-0244 Screening compound: benzyl 8-methyl-4-oxo-6-[4-(prop-2-en-1-yloxy)phenyl]-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

6187-0244 Screening compound: benzyl 8-methyl-4-oxo-6-[4-(prop-2-en-1-yloxy)phenyl]-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
6187-0244 Screening compound: benzyl 8-methyl-4-oxo-6-[4-(prop-2-en-1-yloxy)phenyl]-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-0244
benzyl 8-methyl-4-oxo-6-[4-(prop-2-en-1-yloxy)phenyl]-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

6187-0244

Molecular Formula

C25H24N2O4S (C25 H24 N2 O4 S)

Compound Name

benzyl 8-methyl-4-oxo-6-[4-(prop-2-en-1-yloxy)phenyl]-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

IUPAC name

benzyl 8-methyl-4-oxo-6-[4-(prop-2-en-1-yloxy)phenyl]-2H3H4H6H-pyrimido[21-b][13]thiazine-7-carboxylate

SMILES

CC(N=C(N1C2c(cc3)ccc3OCC=C)SCCC1=O)=C2C(OCc1ccccc1)=O

InChI

InChI=1S/C25H24N2O4S/c1-3-14-30-20-11-9-19(10-12-20)23-22(24(29)31-16-18-7-5-4-6-8-18)17(2)26-25-27(23)21(28)13-15-32-25/h3-12,23H,1,13-16H2,2H3/t23-/m1/s1

InChI Key

ZXIJWCJCXDKWOZ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03530130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.172

Distribution Coefficient, logD

3.572

Water Solubility, LogSw

-4.45

Polar Surface Area

53.452

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with 6187-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-0244?
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What is the minimum amount of 6187-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-0244
  • 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 6187-0244 available by request