6187-0272 Screening compound: prop-2-en-1-yl 6-[4-(benzyloxy)-3-methoxyphenyl]-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

6187-0272 Screening compound: prop-2-en-1-yl 6-[4-(benzyloxy)-3-methoxyphenyl]-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
6187-0272 Screening compound: prop-2-en-1-yl 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 6187-0272
prop-2-en-1-yl 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

6187-0272

Molecular Formula

C26H26N2O5S (C26 H26 N2 O5 S)

Compound Name

prop-2-en-1-yl 6-[4-(benzyloxy)-3-methoxyphenyl]-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-(benzyloxy)-3-methoxyphenyl]-8-methyl-4-oxo-2H3H4H6H-pyrimido[21-b][13]thiazine-7-carboxylate

SMILES

CC(N=C(N1C2c(cc3)cc(OC)c3OCc3ccccc3)SCCC1=O)=C2C(OCC=C)=O

InChI

InChI=1S/C26H26N2O5S/c1-4-13-32-25(30)23-17(2)27-26-28(22(29)12-14-34-26)24(23)19-10-11-20(21(15-19)31-3)33-16-18-8-6-5-7-9-18/h4-11,15,24H,1,12-14,16H2,2-3H3/t24-/m1/s1

InChI Key

VBVQNAJIEISOOG-XMMPIXPASA-N

MDL Number (MFCD)

MFCD03497875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.57

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

3.773

Distribution Coefficient, logD

3.173

Water Solubility, LogSw

-4.02

Polar Surface Area

61.169

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

6187-0272 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 6187-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-0272?
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What is the minimum amount of 6187-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-0272
  • 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 6187-0272 available by request