T505-0528 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{2-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidine-1-carboxamide

T505-0528 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{2-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidine-1-carboxamide
T505-0528 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{2-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T505-0528
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{2-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidine-1-carboxamide

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

T505-0528

Molecular Formula

C25H29N5O4 (C25 H29 N5 O4)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{2-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidine-1-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-{2-[4-(phenoxymethyl)-1H-123-triazol-1-yl]ethyl}piperidine-1-carboxamide

SMILES

O=C(Nc(cc1)cc2c1OCCO2)N1C(CCn2nnc(COc3ccccc3)c2)CCCC1

InChI

InChI=1S/C25H29N5O4/c31-25(26-19-9-10-23-24(16-19)33-15-14-32-23)30-12-5-4-6-21(30)11-13-29-17-20(27-28-29)18-34-22-7-2-1-3-8-22/h1-3,7-10,16-17,21H,4-6,11-15,18H2,(H,26,31)/t21-/m1/s1

InChI Key

PSCBBTRHJDOLRP-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD32000074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.787

Distribution Coefficient, logD

2.787

Water Solubility, LogSw

-3.17

Polar Surface Area

75.391

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

T505-0528 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T505-0528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T505-0528?
Check Price and Availability of T505-0528, 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 T505-0528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T505-0528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T505-0528
  • 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 T505-0528 available by request