4489-5978 Screening compound: ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

4489-5978 Screening compound: ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
4489-5978 Screening compound: ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-5978
ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-7-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

4489-5978

Molecular Formula

C30H23BrN2O6S (C30 H23 BrN2 O6 S)

Compound Name

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

IUPAC name

ethyl (2Z)-5-(2H-13-benzodioxol-5-yl)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-7-phenyl-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)cc2c1OCO2)N1C2=O)=C(c3ccccc3)N=C1S/C2=C\c(cc1)cc(Br)c1OC)=O

InChI

InChI=1S/C30H23BrN2O6S/c1-3-37-29(35)25-26(18-7-5-4-6-8-18)32-30-33(27(25)19-10-12-22-23(15-19)39-16-38-22)28(34)24(40-30)14-17-9-11-21(36-2)20(31)13-17/h4-15,27H,3,16H2,1-2H3/t27-/m0/s1

InChI Key

ACZJZEZBSDIZDM-MHZLTWQESA-N

MDL Number (MFCD)

MFCD03082240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

619.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.446

Distribution Coefficient, logD

6.446

Water Solubility, LogSw

-5.68

Polar Surface Area

70.723

Acid Dissociation Constant (pKa)

26.59

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 4489-5978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-5978?
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What is the minimum amount of 4489-5978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-5978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-5978
  • 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 4489-5978 available by request