5756-1514 Screening compound: prop-2-en-1-yl 6-[4-(methoxycarbonyl)phenyl]-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

5756-1514 Screening compound: prop-2-en-1-yl 6-[4-(methoxycarbonyl)phenyl]-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
5756-1514 Screening compound: prop-2-en-1-yl 6-[4-(methoxycarbonyl)phenyl]-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 5756-1514
prop-2-en-1-yl 6-[4-(methoxycarbonyl)phenyl]-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

5756-1514

Molecular Formula

C20H20N2O5S (C20 H20 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(N=C(N1C2c(cc3)ccc3C(OC)=O)SCCC1=O)=C2C(OCC=C)=O

InChI

InChI=1S/C20H20N2O5S/c1-4-10-27-19(25)16-12(2)21-20-22(15(23)9-11-28-20)17(16)13-5-7-14(8-6-13)18(24)26-3/h4-8,17H,1,9-11H2,2-3H3/t17-/m1/s1

InChI Key

NJCQEQLTRRHZEE-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03530188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.660

Distribution Coefficient, logD

2.061

Water Solubility, LogSw

-2.79

Polar Surface Area

67.399

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 5756-1514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5756-1514?
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What is the minimum amount of 5756-1514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5756-1514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5756-1514
  • 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 5756-1514 available by request