2151-1008 Screening compound: 2-methoxy-4-{[(5Z)-3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate

2151-1008 Screening compound: 2-methoxy-4-{[(5Z)-3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate
2151-1008 Screening compound: 2-methoxy-4-{[(5Z)-3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2151-1008
2-methoxy-4-{[(5Z)-3-(4-nitrophenyl)-4-oxo-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

2151-1008

Molecular Formula

C28H26N2O6S2 (C28 H26 N2 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(/C=C(/C(N1c(cc2)ccc2[N+]([O-])=O)=O)\SC1=S)cc1)c1OC(C1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C28H26N2O6S2/c1-35-23-11-16(12-24-25(31)29(27(37)38-24)20-3-5-21(6-4-20)30(33)34)2-7-22(23)36-26(32)28-13-17-8-18(14-28)10-19(9-17)15-28/h2-7,11-12,17-19H,8-10,13-15H2,1H3

InChI Key

PIDUYHCIRUKOHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.66

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.578

Distribution Coefficient, logD

6.578

Water Solubility, LogSw

-5.78

Polar Surface Area

77.341

Acid Dissociation Constant (pKa)

24.62

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

2151-1008 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 2151-1008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2151-1008?
Check Price and Availability of 2151-1008, 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 2151-1008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2151-1008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2151-1008
  • 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 2151-1008 available by request