6000-2848 Screening compound: prop-2-en-1-yl 6-[(1E)-2-(2-methoxyphenyl)ethenyl]-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

6000-2848 Screening compound: prop-2-en-1-yl 6-[(1E)-2-(2-methoxyphenyl)ethenyl]-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
6000-2848 Screening compound: prop-2-en-1-yl 6-[(1E)-2-(2-methoxyphenyl)ethenyl]-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 6000-2848
prop-2-en-1-yl 6-[(1E)-2-(2-methoxyphenyl)ethenyl]-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

6000-2848

Molecular Formula

C21H22N2O4S (C21 H22 N2 O4 S)

Compound Name

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

SMILES

CC(N=C(N1C2/C=C/c(cccc3)c3OC)SCCC1=O)=C2C(OCC=C)=O

InChI

InChI=1S/C21H22N2O4S/c1-4-12-27-20(25)19-14(2)22-21-23(18(24)11-13-28-21)16(19)10-9-15-7-5-6-8-17(15)26-3/h4-10,16H,1,11-13H2,2-3H3/b10-9+/t16-/m1/s1

InChI Key

DMBUKPASTZSSQC-ZNFPLGDCSA-N

MDL Number (MFCD)

MFCD03530142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.129

Distribution Coefficient, logD

3.053

Water Solubility, LogSw

-3.27

Polar Surface Area

53.807

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

6000-2848 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6000-2848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6000-2848?
Check Price and Availability of 6000-2848, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6000-2848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6000-2848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6000-2848
  • 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 6000-2848 available by request