4555-3525 Screening compound: 1,3-diethyl 5-[2,5-dimethyl-3-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}acetyl)-1H-pyrrol-1-yl]benzene-1,3-dicarboxylate

4555-3525 Screening compound: 1,3-diethyl 5-[2,5-dimethyl-3-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}acetyl)-1H-pyrrol-1-yl]benzene-1,3-dicarboxylate
4555-3525 Screening compound: 1,3-diethyl 5-[2,5-dimethyl-3-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}acetyl)-1H-pyrrol-1-yl]benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4555-3525
1,3-diethyl 5-[2,5-dimethyl-3-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}acetyl)-1H-pyrrol-1-yl]benzene-1,3-dicarboxylate

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

4555-3525

Molecular Formula

C26H26N4O5S (C26 H26 N4 O5 S)

Compound Name

1,3-diethyl 5-[2,5-dimethyl-3-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}acetyl)-1H-pyrrol-1-yl]benzene-1,3-dicarboxylate

IUPAC name

13-diethyl 5-[25-dimethyl-3-(2-{[124]triazolo[43-a]pyridin-3-ylsulfanyl}acetyl)-1H-pyrrol-1-yl]benzene-13-dicarboxylate

SMILES

CCOC(c1cc(-n(c(C)c2)c(C)c2C(CSc2nnc3n2cccc3)=O)cc(C(OCC)=O)c1)=O

InChI

InChI=1S/C26H26N4O5S/c1-5-34-24(32)18-12-19(25(33)35-6-2)14-20(13-18)30-16(3)11-21(17(30)4)22(31)15-36-26-28-27-23-9-7-8-10-29(23)26/h7-14H,5-6,15H2,1-4H3

InChI Key

BIUZUXIFJQFWHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02724761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.268

Distribution Coefficient, logD

4.268

Water Solubility, LogSw

-4.38

Polar Surface Area

79.578

Acid Dissociation Constant (pKa)

16.91

Base Dissociation Constant (pKb)

-7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

4555-3525 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4555-3525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4555-3525?
Check Price and Availability of 4555-3525, 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 4555-3525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4555-3525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4555-3525
  • 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 4555-3525 available by request