3977-0966 Screening compound: ethyl (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-7-methyl-3-oxo-5-[4-(propan-2-yloxy)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

3977-0966 Screening compound: ethyl (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-7-methyl-3-oxo-5-[4-(propan-2-yloxy)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
3977-0966 Screening compound: ethyl (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-7-methyl-3-oxo-5-[4-(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 3977-0966
ethyl (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-7-methyl-3-oxo-5-[4-(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

3977-0966

Molecular Formula

C27H28N2O6S (C27 H28 N2 O6 S)

Compound Name

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

IUPAC name

ethyl (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-7-methyl-3-oxo-5-[4-(propan-2-yloxy)phenyl]-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1OC(C)C)N1C2=O)=C(C)N=C1S/C2=C\c(cc1)cc(OC)c1O)=O

InChI

InChI=1S/C27H28N2O6S/c1-6-34-26(32)23-16(4)28-27-29(24(23)18-8-10-19(11-9-18)35-15(2)3)25(31)22(36-27)14-17-7-12-20(30)21(13-17)33-5/h7-15,24,30H,6H2,1-5H3/t24-/m1/s1

InChI Key

XTHQRZBCJQNVMF-XMMPIXPASA-N

MDL Number (MFCD)

MFCD02632168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.330

Distribution Coefficient, logD

4.326

Water Solubility, LogSw

-4.06

Polar Surface Area

76.729

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

3977-0966 in Drug Discovery

Included in Screening Libraries

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 3977-0966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3977-0966?
Check Price and Availability of 3977-0966, 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 3977-0966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3977-0966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3977-0966
  • 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 3977-0966 available by request