2896-4753 Screening compound: ethyl (2Z)-2-{[3-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2896-4753 Screening compound: ethyl (2Z)-2-{[3-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2896-4753 Screening compound: ethyl (2Z)-2-{[3-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2896-4753
ethyl (2Z)-2-{[3-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-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

2896-4753

Molecular Formula

C33H32N2O7S (C33 H32 N2 O7 S)

Compound Name

ethyl (2Z)-2-{[3-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-2-{[3-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1OC)N1C2=O)=C(C)N=C1S/C2=C\c(cc1)cc(OC)c1OCCOc1ccccc1)=O

InChI

InChI=1S/C33H32N2O7S/c1-5-40-32(37)29-21(2)34-33-35(30(29)23-12-14-24(38-3)15-13-23)31(36)28(43-33)20-22-11-16-26(27(19-22)39-4)42-18-17-41-25-9-7-6-8-10-25/h6-16,19-20,30H,5,17-18H2,1-4H3/t30-/m1/s1

InChI Key

QADQLUUZESYGHR-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD02085069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

600.69

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.562

Distribution Coefficient, logD

5.562

Water Solubility, LogSw

-5.51

Polar Surface Area

75.572

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.20

2896-4753 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 2896-4753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2896-4753?
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What is the minimum amount of 2896-4753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2896-4753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2896-4753
  • 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 2896-4753 available by request