2032-0104 Screening compound: ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2032-0104 Screening compound: ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2032-0104 Screening compound: ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}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 2032-0104
ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}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

2032-0104

Molecular Formula

C33H29ClN2O7S (C33 H29 ClN2 O7 S)

Compound Name

ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}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-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}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(OCC)c1OCc(cc1)ccc1Cl)=O

InChI

InChI=1S/C33H29ClN2O7S/c1-4-39-26-14-21(8-12-24(26)41-17-20-6-10-23(34)11-7-20)15-28-31(37)36-30(22-9-13-25-27(16-22)43-18-42-25)29(32(38)40-5-2)19(3)35-33(36)44-28/h6-16,30H,4-5,17-18H2,1-3H3/t30-/m0/s1

InChI Key

BKTYCXKTEMZKGM-PMERELPUSA-N

MDL Number (MFCD)

MFCD01593410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

633.12

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.323

Distribution Coefficient, logD

6.323

Water Solubility, LogSw

-6.34

Polar Surface Area

77.387

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.20

References: we are preparing a list of scientific research reports with 2032-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2032-0104?
Check Price and Availability of 2032-0104, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2032-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2032-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2032-0104
  • 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 2032-0104 available by request