2151-0859 Screening compound: 2-methoxy-4-{[(5Z)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate

2151-0859 Screening compound: 2-methoxy-4-{[(5Z)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate
2151-0859 Screening compound: 2-methoxy-4-{[(5Z)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2151-0859
2-methoxy-4-{[(5Z)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-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

2151-0859

Molecular Formula

C29H26F3NO4S2 (C29 H26 F3 NO4 S2)

Compound Name

2-methoxy-4-{[(5Z)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate

IUPAC name

2-methoxy-4-{[(5Z)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-13-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate

SMILES

COc(cc(/C=C(/C(N1c2cc(C(F)(F)F)ccc2)=O)\SC1=S)cc1)c1OC(C1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C29H26F3NO4S2/c1-36-23-10-16(5-6-22(23)37-26(35)28-13-17-7-18(14-28)9-19(8-17)15-28)11-24-25(34)33(27(38)39-24)21-4-2-3-20(12-21)29(30,31)32/h2-6,10-12,17-19H,7-9,13-15H2,1H3

InChI Key

PEKOFLIKKVTUAB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

573.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.508

Distribution Coefficient, logD

7.508

Water Solubility, LogSw

-5.92

Polar Surface Area

43.959

Acid Dissociation Constant (pKa)

24.62

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

2151-0859 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 2151-0859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2151-0859?
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What is the minimum amount of 2151-0859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2151-0859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2151-0859
  • 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 2151-0859 available by request