4059-0888 Screening compound: ethyl (2Z)-5-(3,4-diethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

4059-0888 Screening compound: ethyl (2Z)-5-(3,4-diethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
4059-0888 Screening compound: ethyl (2Z)-5-(3,4-diethoxyphenyl)-2-[(4-ethoxy-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 4059-0888
ethyl (2Z)-5-(3,4-diethoxyphenyl)-2-[(4-ethoxy-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

4059-0888

Molecular Formula

C30H34N2O7S (C30 H34 N2 O7 S)

Compound Name

ethyl (2Z)-5-(3,4-diethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-5-(34-diethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)cc(OCC)c1OCC)N1C2=O)=C(C)N=C1S/C2=C\c(cc1)cc(OC)c1OCC)=O

InChI

InChI=1S/C30H34N2O7S/c1-7-36-21-13-11-19(15-23(21)35-6)16-25-28(33)32-27(20-12-14-22(37-8-2)24(17-20)38-9-3)26(29(34)39-10-4)18(5)31-30(32)40-25/h11-17,27H,7-10H2,1-6H3/t27-/m1/s1

InChI Key

VLWATCCPKQGANQ-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD04083532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.68

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.580

Distribution Coefficient, logD

4.580

Water Solubility, LogSw

-4.51

Polar Surface Area

75.009

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.70

References: we are preparing a list of scientific research reports with 4059-0888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4059-0888?
Check Price and Availability of 4059-0888, 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 4059-0888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4059-0888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4059-0888
  • 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 4059-0888 available by request