T404-1890 Screening compound: N-(1-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidin-4-yl)-4-(2-oxopyrrolidin-1-yl)benzamide

T404-1890 Screening compound: N-(1-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidin-4-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
T404-1890 Screening compound: N-(1-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidin-4-yl)-4-(2-oxopyrrolidin-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T404-1890
N-(1-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidin-4-yl)-4-(2-oxopyrrolidin-1-yl)benzamide

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

T404-1890

Molecular Formula

C22H23ClN6O2 (C22 H23 ClN6 O2)

Compound Name

N-(1-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidin-4-yl)-4-(2-oxopyrrolidin-1-yl)benzamide

IUPAC name

N-(1-{6-chloro-[124]triazolo[43-a]pyridin-3-yl}piperidin-4-yl)-4-(2-oxopyrrolidin-1-yl)benzamide

SMILES

O=C(c(cc1)ccc1N(CCC1)C1=O)NC(CC1)CCN1c1nnc(cc2)n1cc2Cl

InChI

InChI=1S/C22H23ClN6O2/c23-16-5-8-19-25-26-22(29(19)14-16)27-12-9-17(10-13-27)24-21(31)15-3-6-18(7-4-15)28-11-1-2-20(28)30/h3-8,14,17H,1-2,9-13H2,(H,24,31)

InChI Key

BEAUJBNMGBAZMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27619846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.628

Distribution Coefficient, logD

2.628

Water Solubility, LogSw

-3.54

Polar Surface Area

65.498

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

T404-1890 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Proteases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T404-1890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T404-1890?
Check Price and Availability of T404-1890, 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 T404-1890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T404-1890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T404-1890
  • 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 T404-1890 available by request