6187-0007 Screening compound: prop-2-en-1-yl 6-(3-bromophenyl)-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

6187-0007 Screening compound: prop-2-en-1-yl 6-(3-bromophenyl)-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
6187-0007 Screening compound: prop-2-en-1-yl 6-(3-bromophenyl)-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 6187-0007
prop-2-en-1-yl 6-(3-bromophenyl)-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

6187-0007

Molecular Formula

C18H17BrN2O3S (C18 H17 BrN2 O3 S)

Compound Name

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

SMILES

CC(N=C(N1C2c3cccc(Br)c3)SCCC1=O)=C2C(OCC=C)=O

InChI

InChI=1S/C18H17BrN2O3S/c1-3-8-24-17(23)15-11(2)20-18-21(14(22)7-9-25-18)16(15)12-5-4-6-13(19)10-12/h3-6,10,16H,1,7-9H2,2H3/t16-/m0/s1

InChI Key

QJZOCNIDICTHJG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03497865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.415

Distribution Coefficient, logD

2.816

Water Solubility, LogSw

-3.64

Polar Surface Area

46.225

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with 6187-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-0007?
Check Price and Availability of 6187-0007, 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 6187-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-0007
  • 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 6187-0007 available by request