2159-3229 Screening compound: 2-(diethylamino)ethyl 4-{4-[(5E)-5-[(4-methoxyphenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]butanamido}benzoate

2159-3229 Screening compound: 2-(diethylamino)ethyl 4-{4-[(5E)-5-[(4-methoxyphenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]butanamido}benzoate
2159-3229 Screening compound: 2-(diethylamino)ethyl 4-{4-[(5E)-5-[(4-methoxyphenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]butanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-3229
2-(diethylamino)ethyl 4-{4-[(5E)-5-[(4-methoxyphenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]butanamido}benzoate

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

2159-3229

Molecular Formula

C28H33N3O5S2 (C28 H33 N3 O5 S2)

Compound Name

2-(diethylamino)ethyl 4-{4-[(5E)-5-[(4-methoxyphenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]butanamido}benzoate

IUPAC name

2-(diethylamino)ethyl 4-{4-[(5E)-5-[(4-methoxyphenyl)methylidene]-2-oxo-4-sulfanylidene-13-thiazolidin-3-yl]butanamido}benzoate

SMILES

CCN(CC)CCOC(c(cc1)ccc1NC(CCCN(C(/C(/S1)=C\c(cc2)ccc2OC)=S)C1=O)=O)=O

InChI

InChI=1S/C28H33N3O5S2/c1-4-30(5-2)17-18-36-27(33)21-10-12-22(13-11-21)29-25(32)7-6-16-31-26(37)24(38-28(31)34)19-20-8-14-23(35-3)15-9-20/h8-15,19H,4-7,16-18H2,1-3H3,(H,29,32)

InChI Key

XHCFDKWXERFUAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01184267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.72

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.209

Distribution Coefficient, logD

4.241

Water Solubility, LogSw

-4.98

Polar Surface Area

71.499

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

2159-3229 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2159-3229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2159-3229?
Check Price and Availability of 2159-3229, 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 2159-3229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-3229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-3229
  • 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 2159-3229 available by request