T630-0243 Screening compound: 3-{[4-(5-CYCLOPROPYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINO]METHYL}PHENYL METHYL ETHER

T630-0243 Screening compound: 3-{[4-(5-CYCLOPROPYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINO]METHYL}PHENYL METHYL ETHER
T630-0243 Screening compound: 3-{[4-(5-CYCLOPROPYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINO]METHYL}PHENYL METHYL ETHER alternative view

Chemical Structure Depiction of ChemDiv screening compound T630-0243
3-{[4-(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

T630-0243

Molecular Formula

C18H24N4O (C18 H24 N4 O)

Compound Name

3-{[4-(5-CYCLOPROPYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINO]METHYL}PHENYL METHYL ETHER

IUPAC name

n/a

SMILES

COc1cc(CN(CC2)CCC2c2nnc(C3CC3)[nH]2)ccc1

InChI

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

InChI Key

NSJWFGFOTIQAJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27622578

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

2.385

Distribution Coefficient, logD

-0.356

Water Solubility, LogSw

-2.60

Polar Surface Area

45.551

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

10.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

T630-0243 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T630-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T630-0243?
Check Price and Availability of T630-0243, 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 T630-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T630-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T630-0243
  • 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 T630-0243 available by request