L861-0022 Screening compound: methyl 2-(2-{6-[(4-methoxyphenyl)carbamoyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetamido)benzoate

L861-0022 Screening compound: methyl 2-(2-{6-[(4-methoxyphenyl)carbamoyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetamido)benzoate
L861-0022 Screening compound: methyl 2-(2-{6-[(4-methoxyphenyl)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 L861-0022
methyl 2-(2-{6-[(4-methoxyphenyl)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

L861-0022

Molecular Formula

C24H21N5O6 (C24 H21 N5 O6)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cccc1)c1NC(CN1N=C(C=CC(C(Nc(cc2)ccc2OC)=O)=C2)N2C1=O)=O)=O

InChI

InChI=1S/C24H21N5O6/c1-34-17-10-8-16(9-11-17)25-22(31)15-7-12-20-27-29(24(33)28(20)13-15)14-21(30)26-19-6-4-3-5-18(19)23(32)35-2/h3-13H,14H2,1-2H3,(H,25,31)(H,26,30)

InChI Key

URNROVXPZCRZED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.353

Distribution Coefficient, logD

2.348

Water Solubility, LogSw

-3.03

Polar Surface Area

107.060

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

L861-0022 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L861-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L861-0022?
Check Price and Availability of L861-0022, 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 L861-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L861-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L861-0022
  • 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 L861-0022 available by request