T505-1182 Screening compound: 4-[1-(2-{1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-2-yl}ethyl)-1H-1,2,3-triazole-4-carbonyl]morpholine

T505-1182 Screening compound: 4-[1-(2-{1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-2-yl}ethyl)-1H-1,2,3-triazole-4-carbonyl]morpholine
T505-1182 Screening compound: 4-[1-(2-{1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-2-yl}ethyl)-1H-1,2,3-triazole-4-carbonyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound T505-1182
4-[1-(2-{1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-2-yl}ethyl)-1H-1,2,3-triazole-4-carbonyl]morpholine

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

T505-1182

Molecular Formula

C20H31N7O2 (C20 H31 N7 O2)

Compound Name

4-[1-(2-{1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-2-yl}ethyl)-1H-1,2,3-triazole-4-carbonyl]morpholine

IUPAC name

4-[1-(2-{1-[(35-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-2-yl}ethyl)-1H-123-triazole-4-carbonyl]morpholine

SMILES

Cc1c(CN2C(CCn3nnc(C(N4CCOCC4)=O)c3)CCCC2)c(C)n[nH]1

InChI

InChI=1S/C20H31N7O2/c1-15-18(16(2)22-21-15)13-26-7-4-3-5-17(26)6-8-27-14-19(23-24-27)20(28)25-9-11-29-12-10-25/h14,17H,3-13H2,1-2H3,(H,21,22)/t17-/m1/s1

InChI Key

IJJBKMJFOQUJQM-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32262134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.797

Distribution Coefficient, logD

-2.870

Water Solubility, LogSw

-1.18

Polar Surface Area

78.746

Acid Dissociation Constant (pKa)

14.93

Base Dissociation Constant (pKb)

11.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

T505-1182 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T505-1182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T505-1182?
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What is the minimum amount of T505-1182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T505-1182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T505-1182
  • 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 T505-1182 available by request