2151-0465 Screening compound: 2-methoxy-4-{[(5Z)-4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate

2151-0465 Screening compound: 2-methoxy-4-{[(5Z)-4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate
2151-0465 Screening compound: 2-methoxy-4-{[(5Z)-4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2151-0465
2-methoxy-4-{[(5Z)-4-oxo-3-phenyl-2-sulfanylidene-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

2151-0465

Molecular Formula

C28H27NO4S2 (C28 H27 NO4 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(/C=C(/C(N1c2ccccc2)=O)\SC1=S)cc1)c1OC(C1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C28H27NO4S2/c1-32-23-12-17(13-24-25(30)29(27(34)35-24)21-5-3-2-4-6-21)7-8-22(23)33-26(31)28-14-18-9-19(15-28)11-20(10-18)16-28/h2-8,12-13,18-20H,9-11,14-16H2,1H3

InChI Key

RRQLNLXRVXYIAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.530

Distribution Coefficient, logD

6.530

Water Solubility, LogSw

-5.81

Polar Surface Area

43.959

Acid Dissociation Constant (pKa)

24.62

Base Dissociation Constant (pKb)

-7.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

2151-0465 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 2151-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2151-0465?
Check Price and Availability of 2151-0465, 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 2151-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2151-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2151-0465
  • 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 2151-0465 available by request