5311-0129 Screening compound: methyl (2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-[(1E)-2-phenylethenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

5311-0129 Screening compound: methyl (2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-[(1E)-2-phenylethenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
5311-0129 Screening compound: methyl (2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-[(1E)-2-phenylethenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5311-0129
methyl (2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-[(1E)-2-phenylethenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-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

5311-0129

Molecular Formula

C25H20N2O5S (C25 H20 N2 O5 S)

Compound Name

methyl (2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-[(1E)-2-phenylethenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

methyl (2E)-2-[(2H-13-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-[(1E)-2-phenylethenyl]-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(N=C(N(C1/C=C/c2ccccc2)C2=O)S/C2=C/c(cc2)cc3c2OCO3)=C1C(OC)=O

InChI

InChI=1S/C25H20N2O5S/c1-15-22(24(29)30-2)18(10-8-16-6-4-3-5-7-16)27-23(28)21(33-25(27)26-15)13-17-9-11-19-20(12-17)32-14-31-19/h3-13,18H,14H2,1-2H3/b10-8+,21-13?/t18-/m1/s1

InChI Key

RMILWRPAXUMSNP-DAPNIVKRSA-N

MDL Number (MFCD)

MFCD00721512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.505

Distribution Coefficient, logD

4.505

Water Solubility, LogSw

-4.48

Polar Surface Area

63.235

Acid Dissociation Constant (pKa)

26.36

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 5311-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5311-0129?
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What is the minimum amount of 5311-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5311-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5311-0129
  • 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 5311-0129 available by request