6187-0049 Screening compound: benzyl 6-(4-tert-butylphenyl)-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

6187-0049 Screening compound: benzyl 6-(4-tert-butylphenyl)-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
6187-0049 Screening compound: benzyl 6-(4-tert-butylphenyl)-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 6187-0049
benzyl 6-(4-tert-butylphenyl)-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

6187-0049

Molecular Formula

C26H28N2O3S (C26 H28 N2 O3 S)

Compound Name

benzyl 6-(4-tert-butylphenyl)-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

IUPAC name

benzyl 6-(4-tert-butylphenyl)-8-methyl-4-oxo-2H3H4H6H-pyrimido[21-b][13]thiazine-7-carboxylate

SMILES

CC(C)(C)c1ccc(C2N(C(CCS3)=O)C3=NC(C)=C2C(OCc2ccccc2)=O)cc1

InChI

InChI=1S/C26H28N2O3S/c1-17-22(24(30)31-16-18-8-6-5-7-9-18)23(28-21(29)14-15-32-25(28)27-17)19-10-12-20(13-11-19)26(2,3)4/h5-13,23H,14-16H2,1-4H3/t23-/m1/s1

InChI Key

GSQAXZAJAWRJSG-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03529957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.433

Distribution Coefficient, logD

4.834

Water Solubility, LogSw

-5.49

Polar Surface Area

46.035

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

6187-0049 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6187-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-0049?
Check Price and Availability of 6187-0049, 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 6187-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-0049
  • 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 6187-0049 available by request