4059-0329 Screening compound: ethyl (2Z)-2-{[3-(benzyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-[2-(propan-2-yloxy)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

4059-0329 Screening compound: ethyl (2Z)-2-{[3-(benzyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-[2-(propan-2-yloxy)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
4059-0329 Screening compound: ethyl (2Z)-2-{[3-(benzyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-[2-(propan-2-yloxy)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4059-0329
ethyl (2Z)-2-{[3-(benzyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-[2-(propan-2-yloxy)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

4059-0329

Molecular Formula

C33H32N2O5S (C33 H32 N2 O5 S)

Compound Name

ethyl (2Z)-2-{[3-(benzyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-[2-(propan-2-yloxy)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-2-{[3-(benzyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-[2-(propan-2-yloxy)phenyl]-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cccc1)c1OC(C)C)N1C2=O)=C(C)N=C1S/C2=C\c1cc(OCc2ccccc2)ccc1)=O

InChI

InChI=1S/C33H32N2O5S/c1-5-38-32(37)29-22(4)34-33-35(30(29)26-16-9-10-17-27(26)40-21(2)3)31(36)28(41-33)19-24-14-11-15-25(18-24)39-20-23-12-7-6-8-13-23/h6-19,21,30H,5,20H2,1-4H3/t30-/m1/s1

InChI Key

ZRSDGLBGVJFFHZ-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD05040697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.569

Distribution Coefficient, logD

6.569

Water Solubility, LogSw

-5.71

Polar Surface Area

59.864

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.20

References: we are preparing a list of scientific research reports with 4059-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4059-0329?
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What is the minimum amount of 4059-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4059-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4059-0329
  • 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 4059-0329 available by request