8015-3411 Screening compound: 4-{[(5Z)-2,4-dioxo-3-[2-oxo-2-(propan-2-yloxy)ethyl]-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl adamantane-1-carboxylate

8015-3411 Screening compound: 4-{[(5Z)-2,4-dioxo-3-[2-oxo-2-(propan-2-yloxy)ethyl]-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl adamantane-1-carboxylate
8015-3411 Screening compound: 4-{[(5Z)-2,4-dioxo-3-[2-oxo-2-(propan-2-yloxy)ethyl]-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl adamantane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3411
4-{[(5Z)-2,4-dioxo-3-[2-oxo-2-(propan-2-yloxy)ethyl]-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl 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

8015-3411

Molecular Formula

C27H31NO7S (C27 H31 NO7 S)

Compound Name

4-{[(5Z)-2,4-dioxo-3-[2-oxo-2-(propan-2-yloxy)ethyl]-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl adamantane-1-carboxylate

IUPAC name

4-{[(5Z)-24-dioxo-3-[2-oxo-2-(propan-2-yloxy)ethyl]-13-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl (3R5S7s)-adamantane-1-carboxylate

SMILES

CC(C)OC(CN(C(/C(/S1)=C/c(cc2)cc(OC)c2OC(C2(C[C@H](C3)C4)C[C@H]4C[C@H]3C2)=O)=O)C1=O)=O

InChI

InChI=1S/C27H31NO7S/c1-15(2)34-23(29)14-28-24(30)22(36-26(28)32)10-16-4-5-20(21(9-16)33-3)35-25(31)27-11-17-6-18(12-27)8-19(7-17)13-27/h4-5,9-10,15,17-19H,6-8,11-14H2,1-3H3

InChI Key

HLQNBZFYEPXEHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04060803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.61

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.605

Distribution Coefficient, logD

5.605

Water Solubility, LogSw

-5.49

Polar Surface Area

77.833

Acid Dissociation Constant (pKa)

22.89

Base Dissociation Constant (pKb)

-5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

8015-3411 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 8015-3411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3411?
Check Price and Availability of 8015-3411, 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 8015-3411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3411
  • 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 8015-3411 available by request