4059-0318 Screening compound: ethyl (2Z)-2-{[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-7-methyl-3-oxo-5-[2-(propan-2-yloxy)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

4059-0318 Screening compound: ethyl (2Z)-2-{[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-7-methyl-3-oxo-5-[2-(propan-2-yloxy)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
4059-0318 Screening compound: ethyl (2Z)-2-{[3-ethoxy-4-(prop-2-en-1-yloxy)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 4059-0318
ethyl (2Z)-2-{[3-ethoxy-4-(prop-2-en-1-yloxy)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

4059-0318

Molecular Formula

C31H34N2O6S (C31 H34 N2 O6 S)

Compound Name

ethyl (2Z)-2-{[3-ethoxy-4-(prop-2-en-1-yloxy)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-ethoxy-4-(prop-2-en-1-yloxy)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\c(cc1)cc(OCC)c1OCC=C)=O

InChI

InChI=1S/C31H34N2O6S/c1-7-16-38-24-15-14-21(17-25(24)36-8-2)18-26-29(34)33-28(22-12-10-11-13-23(22)39-19(4)5)27(30(35)37-9-3)20(6)32-31(33)40-26/h7,10-15,17-19,28H,1,8-9,16H2,2-6H3/t28-/m1/s1

InChI Key

HUFPYTXLTSLDTA-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD03166992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.69

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.708

Distribution Coefficient, logD

5.708

Water Solubility, LogSw

-5.50

Polar Surface Area

67.351

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

4059-0318 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 4059-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4059-0318?
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What is the minimum amount of 4059-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4059-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4059-0318
  • 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 4059-0318 available by request