4059-0122 Screening compound: ethyl (2Z)-7-methyl-3-oxo-2-{[2-(prop-2-yn-1-yloxy)naphthalen-1-yl]methylidene}-5-[2-(propan-2-yloxy)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

4059-0122 Screening compound: ethyl (2Z)-7-methyl-3-oxo-2-{[2-(prop-2-yn-1-yloxy)naphthalen-1-yl]methylidene}-5-[2-(propan-2-yloxy)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
4059-0122 Screening compound: ethyl (2Z)-7-methyl-3-oxo-2-{[2-(prop-2-yn-1-yloxy)naphthalen-1-yl]methylidene}-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 4059-0122
ethyl (2Z)-7-methyl-3-oxo-2-{[2-(prop-2-yn-1-yloxy)naphthalen-1-yl]methylidene}-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

4059-0122

Molecular Formula

C33H30N2O5S (C33 H30 N2 O5 S)

Compound Name

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

IUPAC name

ethyl (2Z)-7-methyl-3-oxo-2-{[2-(prop-2-yn-1-yloxy)naphthalen-1-yl]methylidene}-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\c(c1ccccc1cc1)c1OCC#C)=O

InChI

InChI=1S/C33H30N2O5S/c1-6-18-39-26-17-16-22-12-8-9-13-23(22)25(26)19-28-31(36)35-30(24-14-10-11-15-27(24)40-20(3)4)29(32(37)38-7-2)21(5)34-33(35)41-28/h1,8-17,19-20,30H,7,18H2,2-5H3/t30-/m1/s1

InChI Key

WFEQSKBOOGQJJB-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD03166972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.68

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

6.529

Distribution Coefficient, logD

6.529

Water Solubility, LogSw

-6.77

Polar Surface Area

59.869

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.20

4059-0122 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4059-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4059-0122?
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What is the minimum amount of 4059-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4059-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4059-0122
  • 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 4059-0122 available by request