3184-0655 Screening compound: ethyl (2Z)-2-[(1-benzyl-1H-indol-3-yl)methylidene]-5-(2,3-dimethoxyphenyl)-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

3184-0655 Screening compound: ethyl (2Z)-2-[(1-benzyl-1H-indol-3-yl)methylidene]-5-(2,3-dimethoxyphenyl)-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
3184-0655 Screening compound: ethyl (2Z)-2-[(1-benzyl-1H-indol-3-yl)methylidene]-5-(2,3-dimethoxyphenyl)-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3184-0655
ethyl (2Z)-2-[(1-benzyl-1H-indol-3-yl)methylidene]-5-(2,3-dimethoxyphenyl)-3-oxo-7-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

3184-0655

Molecular Formula

C39H33N3O5S (C39 H33 N3 O5 S)

Compound Name

ethyl (2Z)-2-[(1-benzyl-1H-indol-3-yl)methylidene]-5-(2,3-dimethoxyphenyl)-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-2-[(1-benzyl-1H-indol-3-yl)methylidene]-5-(23-dimethoxyphenyl)-3-oxo-7-phenyl-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cccc1OC)c1OC)N1C2=O)=C(c3ccccc3)N=C1S/C2=C\c1cn(Cc2ccccc2)c2c1cccc2)=O

InChI

InChI=1S/C39H33N3O5S/c1-4-47-38(44)33-34(26-16-9-6-10-17-26)40-39-42(35(33)29-19-13-21-31(45-2)36(29)46-3)37(43)32(48-39)22-27-24-41(23-25-14-7-5-8-15-25)30-20-12-11-18-28(27)30/h5-22,24,35H,4,23H2,1-3H3/t35-/m1/s1

InChI Key

UEXAYPFJACIKPX-PGUFJCEWSA-N

MDL Number (MFCD)

MFCD02086521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

655.77

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.684

Distribution Coefficient, logD

7.684

Water Solubility, LogSw

-5.92

Polar Surface Area

63.057

Acid Dissociation Constant (pKa)

26.59

Base Dissociation Constant (pKb)

3.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

3184-0655 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 3184-0655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3184-0655?
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What is the minimum amount of 3184-0655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3184-0655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3184-0655
  • 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 3184-0655 available by request