1611-4096 Screening compound: ethyl (2E)-7-methyl-3-oxo-5-phenyl-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

1611-4096 Screening compound: ethyl (2E)-7-methyl-3-oxo-5-phenyl-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
1611-4096 Screening compound: ethyl (2E)-7-methyl-3-oxo-5-phenyl-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1611-4096
ethyl (2E)-7-methyl-3-oxo-5-phenyl-2-[(2E)-3-phenylprop-2-en-1-ylidene]-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

1611-4096

Molecular Formula

C25H22N2O3S (C25 H22 N2 O3 S)

Compound Name

ethyl (2E)-7-methyl-3-oxo-5-phenyl-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2E)-7-methyl-3-oxo-5-phenyl-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c1ccccc1)N1C2=O)=C(C)N=C1S/C2=C/C=C/c1ccccc1)=O

InChI

InChI=1S/C25H22N2O3S/c1-3-30-24(29)21-17(2)26-25-27(22(21)19-14-8-5-9-15-19)23(28)20(31-25)16-10-13-18-11-6-4-7-12-18/h4-16,22H,3H2,1-2H3/t22-/m1/s1

InChI Key

RTLVPAJKTJTATR-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD00497270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.087

Distribution Coefficient, logD

5.087

Water Solubility, LogSw

-4.88

Polar Surface Area

45.747

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 1611-4096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1611-4096?
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What is the minimum amount of 1611-4096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1611-4096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1611-4096
  • 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 1611-4096 available by request