T505-0406 Screening compound: 1-(3-methyl-1H-pyrazole-5-carbonyl)-2-{2-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidine

T505-0406 Screening compound: 1-(3-methyl-1H-pyrazole-5-carbonyl)-2-{2-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidine
T505-0406 Screening compound: 1-(3-methyl-1H-pyrazole-5-carbonyl)-2-{2-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T505-0406
1-(3-methyl-1H-pyrazole-5-carbonyl)-2-{2-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]ethyl}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

T505-0406

Molecular Formula

C21H26N6O2 (C21 H26 N6 O2)

Compound Name

1-(3-methyl-1H-pyrazole-5-carbonyl)-2-{2-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidine

IUPAC name

1-(3-methyl-1H-pyrazole-5-carbonyl)-2-{2-[4-(phenoxymethyl)-1H-123-triazol-1-yl]ethyl}piperidine

SMILES

Cc1n[nH]c(C(N2C(CCn3nnc(COc4ccccc4)c3)CCCC2)=O)c1

InChI

InChI=1S/C21H26N6O2/c1-16-13-20(24-22-16)21(28)27-11-6-5-7-18(27)10-12-26-14-17(23-25-26)15-29-19-8-3-2-4-9-19/h2-4,8-9,13-14,18H,5-7,10-12,15H2,1H3,(H,22,24)/t18-/m1/s1

InChI Key

SSGRLSZOPHNYRP-GOSISDBHSA-N

MDL Number (MFCD)

MFCD31972906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.564

Distribution Coefficient, logD

2.564

Water Solubility, LogSw

-2.62

Polar Surface Area

73.315

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

T505-0406 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with T505-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T505-0406?
Check Price and Availability of T505-0406, 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 T505-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T505-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T505-0406
  • 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 T505-0406 available by request