6187-0208 Screening compound: 2-methoxyethyl 6-[4-(acetyloxy)-3-methoxyphenyl]-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

6187-0208 Screening compound: 2-methoxyethyl 6-[4-(acetyloxy)-3-methoxyphenyl]-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
6187-0208 Screening compound: 2-methoxyethyl 6-[4-(acetyloxy)-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 6187-0208
2-methoxyethyl 6-[4-(acetyloxy)-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

6187-0208

Molecular Formula

C21H24N2O7S (C21 H24 N2 O7 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Oc(ccc(C1N(C(CCS2)=O)C2=NC(C)=C1C(OCCOC)=O)c1)c1OC)=O

InChI

InChI=1S/C21H24N2O7S/c1-12-18(20(26)29-9-8-27-3)19(23-17(25)7-10-31-21(23)22-12)14-5-6-15(30-13(2)24)16(11-14)28-4/h5-6,11,19H,7-10H2,1-4H3/t19-/m1/s1

InChI Key

LKDWRXCRGCZKFV-LJQANCHMSA-N

MDL Number (MFCD)

MFCD03530087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.217

Distribution Coefficient, logD

-0.224

Water Solubility, LogSw

-2.16

Polar Surface Area

83.035

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

8.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 6187-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-0208?
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What is the minimum amount of 6187-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-0208
  • 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 6187-0208 available by request