6187-0271 Screening compound: 2-methylpropyl 6-[4-(benzyloxy)-3-methoxyphenyl]-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

6187-0271 Screening compound: 2-methylpropyl 6-[4-(benzyloxy)-3-methoxyphenyl]-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
6187-0271 Screening compound: 2-methylpropyl 6-[4-(benzyloxy)-3-methoxyphenyl]-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 6187-0271
2-methylpropyl 6-[4-(benzyloxy)-3-methoxyphenyl]-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

6187-0271

Molecular Formula

C27H30N2O5S (C27 H30 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)COC(C(C(c(cc1)cc(OC)c1OCc1ccccc1)N12)=C(C)N=C1SCCC2=O)=O

InChI

InChI=1S/C27H30N2O5S/c1-17(2)15-34-26(31)24-18(3)28-27-29(23(30)12-13-35-27)25(24)20-10-11-21(22(14-20)32-4)33-16-19-8-6-5-7-9-19/h5-11,14,17,25H,12-13,15-16H2,1-4H3/t25-/m1/s1

InChI Key

RUYISEOBLQPXRO-RUZDIDTESA-N

MDL Number (MFCD)

MFCD03530162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.522

Distribution Coefficient, logD

3.082

Water Solubility, LogSw

-4.64

Polar Surface Area

61.251

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

8.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

6187-0271 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6187-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-0271?
Check Price and Availability of 6187-0271, 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 6187-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-0271
  • 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 6187-0271 available by request