T501-0168 Screening compound: 3-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine

T501-0168 Screening compound: 3-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine
T501-0168 Screening compound: 3-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T501-0168
3-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}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

T501-0168

Molecular Formula

C11H20N4 (C11 H20 N4)

Compound Name

3-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine

IUPAC name

3-{[4-(propan-2-yl)-4H-124-triazol-3-yl]methyl}piperidine

SMILES

CC(C)n1c(CC2CNCCC2)nnc1

InChI

InChI=1S/C11H20N4/c1-9(2)15-8-13-14-11(15)6-10-4-3-5-12-7-10/h8-10,12H,3-7H2,1-2H3/t10-/m1/s1

InChI Key

BTNCLBKJYLDOIQ-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD16851036

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

208.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.536

Distribution Coefficient, logD

-2.690

Water Solubility, LogSw

-0.73

Polar Surface Area

38.446

Acid Dissociation Constant (pKa)

18.76

Base Dissociation Constant (pKb)

10.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

81.82

T501-0168 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with T501-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T501-0168?
Check Price and Availability of T501-0168, 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 T501-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T501-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T501-0168
  • 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 T501-0168 available by request