T632-1423 Screening compound: [4-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidino](4-pyridyl)methanone

T632-1423 Screening compound: [4-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidino](4-pyridyl)methanone
T632-1423 Screening compound: [4-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidino](4-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T632-1423
[4-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidino](4-pyridyl)methanone

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

T632-1423

Molecular Formula

C20H21N5O (C20 H21 N5 O)

Compound Name

[4-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidino](4-pyridyl)methanone

IUPAC name

4-[4-(4-benzyl-4H-124-triazol-3-yl)piperidine-1-carbonyl]pyridine

SMILES

O=C(c1ccncc1)N(CC1)CCC1c1nncn1Cc1ccccc1

InChI

InChI=1S/C20H21N5O/c26-20(18-6-10-21-11-7-18)24-12-8-17(9-13-24)19-23-22-15-25(19)14-16-4-2-1-3-5-16/h1-7,10-11,15,17H,8-9,12-14H2

InChI Key

FFZCGGFCURJCNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27622634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.225

Distribution Coefficient, logD

1.223

Water Solubility, LogSw

-1.31

Polar Surface Area

50.400

Acid Dissociation Constant (pKa)

20.18

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

T632-1423 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with T632-1423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T632-1423?
Check Price and Availability of T632-1423, 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 T632-1423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T632-1423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T632-1423
  • 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 T632-1423 available by request