6187-0313 Screening compound: 2-methylpropyl 6-(4-butoxy-3-ethoxyphenyl)-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

6187-0313 Screening compound: 2-methylpropyl 6-(4-butoxy-3-ethoxyphenyl)-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
6187-0313 Screening compound: 2-methylpropyl 6-(4-butoxy-3-ethoxyphenyl)-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 6187-0313
2-methylpropyl 6-(4-butoxy-3-ethoxyphenyl)-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

6187-0313

Molecular Formula

C25H34N2O5S (C25 H34 N2 O5 S)

Compound Name

2-methylpropyl 6-(4-butoxy-3-ethoxyphenyl)-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

IUPAC name

2-methylpropyl 6-(4-butoxy-3-ethoxyphenyl)-8-methyl-4-oxo-2H3H4H6H-pyrimido[21-b][13]thiazine-7-carboxylate

SMILES

CCCCOc(ccc(C1N(C(CCS2)=O)C2=NC(C)=C1C(OCC(C)C)=O)c1)c1OCC

InChI

InChI=1S/C25H34N2O5S/c1-6-8-12-31-19-10-9-18(14-20(19)30-7-2)23-22(24(29)32-15-16(3)4)17(5)26-25-27(23)21(28)11-13-33-25/h9-10,14,16,23H,6-8,11-13,15H2,1-5H3/t23-/m1/s1

InChI Key

QZLXTZHWDUVMGH-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03530201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.622

Distribution Coefficient, logD

3.181

Water Solubility, LogSw

-4.44

Polar Surface Area

61.021

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

8.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.00

References: we are preparing a list of scientific research reports with 6187-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-0313?
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What is the minimum amount of 6187-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-0313
  • 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 6187-0313 available by request