3584-1525 Screening compound: 2-((Z)-1-{3-chloro-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

3584-1525 Screening compound: 2-((Z)-1-{3-chloro-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one
3584-1525 Screening compound: 2-((Z)-1-{3-chloro-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3584-1525
2-((Z)-1-{3-chloro-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

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

3584-1525

Molecular Formula

C26H21ClN2O4S (C26 H21 ClN2 O4 S)

Compound Name

2-((Z)-1-{3-chloro-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

IUPAC name

(4Z)-4-({3-chloro-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)6810-tetraen-3-one

SMILES

Cc(cccc1)c1OCCOc(c(OC)cc(/C=C1\Sc2nc(cccc3)c3n2C1=O)c1)c1Cl

InChI

InChI=1S/C26H21ClN2O4S/c1-16-7-3-6-10-21(16)32-11-12-33-24-18(27)13-17(14-22(24)31-2)15-23-25(30)29-20-9-5-4-8-19(20)28-26(29)34-23/h3-10,13-15H,11-12H2,1-2H3

InChI Key

NSDWUBCAYMZFFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02121675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.012

Distribution Coefficient, logD

6.012

Water Solubility, LogSw

-6.10

Polar Surface Area

46.907

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

3584-1525 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3584-1525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3584-1525?
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What is the minimum amount of 3584-1525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3584-1525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3584-1525
  • 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 3584-1525 available by request