2032-0016 Screening compound: ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-[(3,4-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2032-0016 Screening compound: ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-[(3,4-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2032-0016 Screening compound: ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-[(3,4-dimethoxyphenyl)methylidene]-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 2032-0016
ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-[(3,4-dimethoxyphenyl)methylidene]-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

2032-0016

Molecular Formula

C26H24N2O7S (C26 H24 N2 O7 S)

Compound Name

ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-[(3,4-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-5-(2H-13-benzodioxol-5-yl)-2-[(34-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)cc2c1OCO2)N1C2=O)=C(C)N=C1S/C2=C\c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C26H24N2O7S/c1-5-33-25(30)22-14(2)27-26-28(23(22)16-7-9-18-20(12-16)35-13-34-18)24(29)21(36-26)11-15-6-8-17(31-3)19(10-15)32-4/h6-12,23H,5,13H2,1-4H3/t23-/m1/s1

InChI Key

RZDCWQQGTDMBOO-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD01061684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.042

Distribution Coefficient, logD

4.042

Water Solubility, LogSw

-4.14

Polar Surface Area

78.124

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with 2032-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2032-0016?
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What is the minimum amount of 2032-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2032-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2032-0016
  • 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 2032-0016 available by request