3270-0272 Screening compound: ethyl (2Z)-7-methyl-5-[4-(methylsulfanyl)phenyl]-2-({2-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

3270-0272 Screening compound: ethyl (2Z)-7-methyl-5-[4-(methylsulfanyl)phenyl]-2-({2-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
3270-0272 Screening compound: ethyl (2Z)-7-methyl-5-[4-(methylsulfanyl)phenyl]-2-({2-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3270-0272
ethyl (2Z)-7-methyl-5-[4-(methylsulfanyl)phenyl]-2-({2-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-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

3270-0272

Molecular Formula

C35H30N2O4S2 (C35 H30 N2 O4 S2)

Compound Name

ethyl (2Z)-7-methyl-5-[4-(methylsulfanyl)phenyl]-2-({2-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-7-methyl-5-[4-(methylsulfanyl)phenyl]-2-({2-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1SC)N1C2=O)=C(C)N=C1S/C2=C\c(cccc1)c1OCc1cccc2ccccc12)=O

InChI

InChI=1S/C35H30N2O4S2/c1-4-40-34(39)31-22(2)36-35-37(32(31)24-16-18-27(42-3)19-17-24)33(38)30(43-35)20-25-11-6-8-15-29(25)41-21-26-13-9-12-23-10-5-7-14-28(23)26/h5-20,32H,4,21H2,1-3H3/t32-/m1/s1

InChI Key

AUVXPEYTEBJMIR-JGCGQSQUSA-N

MDL Number (MFCD)

MFCD01592741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

606.77

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.060

Distribution Coefficient, logD

8.060

Water Solubility, LogSw

-6.72

Polar Surface Area

52.790

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.10

3270-0272 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3270-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3270-0272?
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What is the minimum amount of 3270-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3270-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3270-0272
  • 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 3270-0272 available by request