L861-0599 Screening compound: ethyl 3-[2-(6-{[(4-methylphenyl)methyl]carbamoyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamido]benzoate

L861-0599 Screening compound: ethyl 3-[2-(6-{[(4-methylphenyl)methyl]carbamoyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamido]benzoate
L861-0599 Screening compound: ethyl 3-[2-(6-{[(4-methylphenyl)methyl]carbamoyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L861-0599
ethyl 3-[2-(6-{[(4-methylphenyl)methyl]carbamoyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamido]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

L861-0599

Molecular Formula

C26H25N5O5 (C26 H25 N5 O5)

Compound Name

ethyl 3-[2-(6-{[(4-methylphenyl)methyl]carbamoyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamido]benzoate

IUPAC name

ethyl 3-[2-(6-{[(4-methylphenyl)methyl]carbamoyl}-3-oxo-2H3H-[124]triazolo[43-a]pyridin-2-yl)acetamido]benzoate

SMILES

CCOC(c1cccc(NC(CN2N=C(C=CC(C(NCc3ccc(C)cc3)=O)=C3)N3C2=O)=O)c1)=O

InChI

InChI=1S/C26H25N5O5/c1-3-36-25(34)19-5-4-6-21(13-19)28-23(32)16-31-26(35)30-15-20(11-12-22(30)29-31)24(33)27-14-18-9-7-17(2)8-10-18/h4-13,15H,3,14,16H2,1-2H3,(H,27,33)(H,28,32)

InChI Key

RDHNAZKTUQAJKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.514

Distribution Coefficient, logD

3.513

Water Solubility, LogSw

-3.52

Polar Surface Area

101.116

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

L861-0599 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

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

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
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 L861-0599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L861-0599?
Check Price and Availability of L861-0599, 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 L861-0599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L861-0599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L861-0599
  • 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 L861-0599 available by request