T404-1858 Screening compound: N-(1-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidin-4-yl)-3-(4-methoxyphenyl)propanamide

T404-1858 Screening compound: N-(1-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidin-4-yl)-3-(4-methoxyphenyl)propanamide
T404-1858 Screening compound: N-(1-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidin-4-yl)-3-(4-methoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T404-1858
N-(1-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidin-4-yl)-3-(4-methoxyphenyl)propanamide

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

T404-1858

Molecular Formula

C21H24ClN5O2 (C21 H24 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CCC(NC(CC2)CCN2c2nnc(cc3)n2cc3Cl)=O)cc1

InChI

InChI=1S/C21H24ClN5O2/c1-29-18-6-2-15(3-7-18)4-9-20(28)23-17-10-12-26(13-11-17)21-25-24-19-8-5-16(22)14-27(19)21/h2-3,5-8,14,17H,4,9-13H2,1H3,(H,23,28)

InChI Key

RKQJZRBMAZLFFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27619843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.245

Distribution Coefficient, logD

3.245

Water Solubility, LogSw

-3.69

Polar Surface Area

56.012

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

9.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

T404-1858 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with T404-1858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T404-1858?
Check Price and Availability of T404-1858, 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 T404-1858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T404-1858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T404-1858
  • 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 T404-1858 available by request