2032-0095 Screening compound: ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-({4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2032-0095 Screening compound: ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-({4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2032-0095 Screening compound: ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-({4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}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 2032-0095
ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-({4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}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

2032-0095

Molecular Formula

C32H27ClN2O7S (C32 H27 ClN2 O7 S)

Compound Name

ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-({4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}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-({4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}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)c1OCc(cccc1)c1Cl)=O

InChI

InChI=1S/C32H27ClN2O7S/c1-4-39-31(37)28-18(2)34-32-35(29(28)20-10-12-24-26(15-20)42-17-41-24)30(36)27(43-32)14-19-9-11-23(25(13-19)38-3)40-16-21-7-5-6-8-22(21)33/h5-15,29H,4,16-17H2,1-3H3/t29-/m0/s1

InChI Key

JFQQGOBBNAXTMX-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD01455731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

619.09

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.057

Distribution Coefficient, logD

6.057

Water Solubility, LogSw

-6.14

Polar Surface Area

77.807

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.90

References: we are preparing a list of scientific research reports with 2032-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2032-0095?
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What is the minimum amount of 2032-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2032-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2032-0095
  • 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 2032-0095 available by request