T629-0145 Screening compound: 3-{[3-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino]methyl}phenyl methyl ether

T629-0145 Screening compound: 3-{[3-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino]methyl}phenyl methyl ether
T629-0145 Screening compound: 3-{[3-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino]methyl}phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound T629-0145
3-{[3-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino]methyl}phenyl methyl ether

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

T629-0145

Molecular Formula

C18H24N4O (C18 H24 N4 O)

Compound Name

3-{[3-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino]methyl}phenyl methyl ether

IUPAC name

n/a

SMILES

COc1cc(CN(CCC2)CC2c2nnc(C3CC3)[nH]2)ccc1

InChI

InChI=1S/C18H24N4O/c1-23-16-6-2-4-13(10-16)11-22-9-3-5-15(12-22)18-19-17(20-21-18)14-7-8-14/h2,4,6,10,14-15H,3,5,7-9,11-12H2,1H3,(H,19,20,21)/t15-/m0/s1

InChI Key

DICTZEQQHZPWJZ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29027917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.311

Distribution Coefficient, logD

-0.531

Water Solubility, LogSw

-2.57

Polar Surface Area

45.485

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

10.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

T629-0145 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T629-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T629-0145?
Check Price and Availability of T629-0145, 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 T629-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T629-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T629-0145
  • 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 T629-0145 available by request