3184-0639 Screening compound: ethyl (2Z)-5-(2,3-dimethoxyphenyl)-3-oxo-7-phenyl-2-[(thiophen-2-yl)methylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

3184-0639 Screening compound: ethyl (2Z)-5-(2,3-dimethoxyphenyl)-3-oxo-7-phenyl-2-[(thiophen-2-yl)methylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
3184-0639 Screening compound: ethyl (2Z)-5-(2,3-dimethoxyphenyl)-3-oxo-7-phenyl-2-[(thiophen-2-yl)methylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3184-0639
ethyl (2Z)-5-(2,3-dimethoxyphenyl)-3-oxo-7-phenyl-2-[(thiophen-2-yl)methylidene]-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

3184-0639

Molecular Formula

C28H24N2O5S2 (C28 H24 N2 O5 S2)

Compound Name

ethyl (2Z)-5-(2,3-dimethoxyphenyl)-3-oxo-7-phenyl-2-[(thiophen-2-yl)methylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-5-(23-dimethoxyphenyl)-3-oxo-7-phenyl-2-[(thiophen-2-yl)methylidene]-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cccc1OC)c1OC)N1C2=O)=C(c3ccccc3)N=C1S/C2=C\c1cccs1)=O

InChI

InChI=1S/C28H24N2O5S2/c1-4-35-27(32)22-23(17-10-6-5-7-11-17)29-28-30(26(31)21(37-28)16-18-12-9-15-36-18)24(22)19-13-8-14-20(33-2)25(19)34-3/h5-16,24H,4H2,1-3H3/t24-/m1/s1

InChI Key

MZRCFMJWVCZZOC-XMMPIXPASA-N

MDL Number (MFCD)

MFCD02086519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.677

Distribution Coefficient, logD

5.677

Water Solubility, LogSw

-5.56

Polar Surface Area

62.343

Acid Dissociation Constant (pKa)

26.59

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

3184-0639 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3184-0639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3184-0639?
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What is the minimum amount of 3184-0639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3184-0639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3184-0639
  • 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 3184-0639 available by request