3871-0550 Screening compound: ethyl (2E)-2-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

3871-0550 Screening compound: ethyl (2E)-2-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
3871-0550 Screening compound: ethyl (2E)-2-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3871-0550
ethyl (2E)-2-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-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

3871-0550

Molecular Formula

C27H26N2O5S (C27 H26 N2 O5 S)

Compound Name

ethyl (2E)-2-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2E)-2-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c1ccccc1)N1C2=O)=C(C)N=C1S/C2=C/c(cc1CC=C)cc(OC)c1O)=O

InChI

InChI=1S/C27H26N2O5S/c1-5-10-19-13-17(14-20(33-4)24(19)30)15-21-25(31)29-23(18-11-8-7-9-12-18)22(26(32)34-6-2)16(3)28-27(29)35-21/h5,7-9,11-15,23,30H,1,6,10H2,2-4H3/t23-/m1/s1

InChI Key

KATPKFLWLKGPSM-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD02609029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.964

Distribution Coefficient, logD

4.963

Water Solubility, LogSw

-4.52

Polar Surface Area

68.857

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 3871-0550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3871-0550?
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What is the minimum amount of 3871-0550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3871-0550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3871-0550
  • 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 3871-0550 available by request