T632-1468 Screening compound: 1-[4-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-cyclopentylethan-1-one

T632-1468 Screening compound: 1-[4-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-cyclopentylethan-1-one
T632-1468 Screening compound: 1-[4-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-cyclopentylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T632-1468
1-[4-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-cyclopentylethan-1-one

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

T632-1468

Molecular Formula

C21H28N4O (C21 H28 N4 O)

Compound Name

1-[4-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-cyclopentylethan-1-one

IUPAC name

1-[4-(4-benzyl-4H-124-triazol-3-yl)piperidin-1-yl]-2-cyclopentylethan-1-one

SMILES

O=C(CC1CCCC1)N(CC1)CCC1c1nncn1Cc1ccccc1

InChI

InChI=1S/C21H28N4O/c26-20(14-17-6-4-5-7-17)24-12-10-19(11-13-24)21-23-22-16-25(21)15-18-8-2-1-3-9-18/h1-3,8-9,16-17,19H,4-7,10-15H2

InChI Key

ZLJHBCUXMSAOGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29022973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.822

Distribution Coefficient, logD

2.822

Water Solubility, LogSw

-3.03

Polar Surface Area

41.002

Acid Dissociation Constant (pKa)

20.18

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.14

T632-1468 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with T632-1468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T632-1468?
Check Price and Availability of T632-1468, 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 T632-1468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T632-1468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T632-1468
  • 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 T632-1468 available by request