L861-0475 Screening compound: N-benzyl-2-{[(4-bromophenyl)carbamoyl]methyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

L861-0475 Screening compound: N-benzyl-2-{[(4-bromophenyl)carbamoyl]methyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
L861-0475 Screening compound: N-benzyl-2-{[(4-bromophenyl)carbamoyl]methyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L861-0475
N-benzyl-2-{[(4-bromophenyl)carbamoyl]methyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

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

L861-0475

Molecular Formula

C22H18BrN5O3 (C22 H18 BrN5 O3)

Compound Name

N-benzyl-2-{[(4-bromophenyl)carbamoyl]methyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

IUPAC name

N-benzyl-2-{[(4-bromophenyl)carbamoyl]methyl}-3-oxo-2H3H-[124]triazolo[43-a]pyridine-6-carboxamide

SMILES

O=C(CN1N=C(C=CC(C(NCc2ccccc2)=O)=C2)N2C1=O)Nc(cc1)ccc1Br

InChI

InChI=1S/C22H18BrN5O3/c23-17-7-9-18(10-8-17)25-20(29)14-28-22(31)27-13-16(6-11-19(27)26-28)21(30)24-12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,24,30)(H,25,29)

InChI Key

XVBQANIXLNUWTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16635238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.142

Distribution Coefficient, logD

3.141

Water Solubility, LogSw

-3.29

Polar Surface Area

80.362

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

L861-0475 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L861-0475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L861-0475?
Check Price and Availability of L861-0475, 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 L861-0475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L861-0475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L861-0475
  • 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 L861-0475 available by request