T632-2068 Screening compound: 1-(2-phenylethyl)-4-(4-propyl-4H-1,2,4-triazol-3-yl)piperidine

T632-2068 Screening compound: 1-(2-phenylethyl)-4-(4-propyl-4H-1,2,4-triazol-3-yl)piperidine
T632-2068 Screening compound: 1-(2-phenylethyl)-4-(4-propyl-4H-1,2,4-triazol-3-yl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T632-2068
1-(2-phenylethyl)-4-(4-propyl-4H-1,2,4-triazol-3-yl)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

T632-2068

Molecular Formula

C18H26N4 (C18 H26 N4)

Compound Name

1-(2-phenylethyl)-4-(4-propyl-4H-1,2,4-triazol-3-yl)piperidine

IUPAC name

1-(2-phenylethyl)-4-(4-propyl-4H-124-triazol-3-yl)piperidine

SMILES

CCCn1c(C2CCN(CCc3ccccc3)CC2)nnc1

InChI

InChI=1S/C18H26N4/c1-2-11-22-15-19-20-18(22)17-9-13-21(14-10-17)12-8-16-6-4-3-5-7-16/h3-7,15,17H,2,8-14H2,1H3

InChI Key

XBSLIXZZOZSTED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29028110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.617

Distribution Coefficient, logD

0.840

Water Solubility, LogSw

-2.49

Polar Surface Area

28.284

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

9.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

T632-2068 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T632-2068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T632-2068?
Check Price and Availability of T632-2068, 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 T632-2068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T632-2068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T632-2068
  • 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 T632-2068 available by request