T632-1477 Screening compound: 4-(4-benzyl-4H-1,2,4-triazol-3-yl)-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine

T632-1477 Screening compound: 4-(4-benzyl-4H-1,2,4-triazol-3-yl)-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine
T632-1477 Screening compound: 4-(4-benzyl-4H-1,2,4-triazol-3-yl)-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T632-1477
4-(4-benzyl-4H-1,2,4-triazol-3-yl)-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine

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

T632-1477

Molecular Formula

C20H23N5O (C20 H23 N5 O)

Compound Name

4-(4-benzyl-4H-1,2,4-triazol-3-yl)-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine

IUPAC name

4-(4-benzyl-4H-124-triazol-3-yl)-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine

SMILES

Cn1c(C(N(CC2)CCC2c2nncn2Cc2ccccc2)=O)ccc1

InChI

InChI=1S/C20H23N5O/c1-23-11-5-8-18(23)20(26)24-12-9-17(10-13-24)19-22-21-15-25(19)14-16-6-3-2-4-7-16/h2-8,11,15,17H,9-10,12-14H2,1H3

InChI Key

OLLNAYKXPYJZFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29032789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.532

Distribution Coefficient, logD

2.532

Water Solubility, LogSw

-2.33

Polar Surface Area

43.388

Acid Dissociation Constant (pKa)

20.18

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

T632-1477 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T632-1477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T632-1477?
Check Price and Availability of T632-1477, 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 T632-1477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T632-1477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T632-1477
  • 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 T632-1477 available by request