2032-0050 Screening compound: ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-7-methyl-2-({3-[(4-nitrophenyl)methoxy]phenyl}methylidene)-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2032-0050 Screening compound: ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-7-methyl-2-({3-[(4-nitrophenyl)methoxy]phenyl}methylidene)-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2032-0050 Screening compound: ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-7-methyl-2-({3-[(4-nitrophenyl)methoxy]phenyl}methylidene)-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2032-0050
ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-7-methyl-2-({3-[(4-nitrophenyl)methoxy]phenyl}methylidene)-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

2032-0050

Molecular Formula

C31H25N3O8S (C31 H25 N3 O8 S)

Compound Name

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

IUPAC name

ethyl (2Z)-5-(2H-13-benzodioxol-5-yl)-7-methyl-2-({3-[(4-nitrophenyl)methoxy]phenyl}methylidene)-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\c1cc(OCc(cc2)ccc2[N+]([O-])=O)ccc1)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

599.62

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.758

Distribution Coefficient, logD

5.758

Water Solubility, LogSw

-5.60

Polar Surface Area

103.472

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.40

References: we are preparing a list of scientific research reports with 2032-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2032-0050?
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What is the minimum amount of 2032-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2032-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2032-0050
  • 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 2032-0050 available by request