T622-0429 Screening compound: 1-{4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl}-2-(pyridin-3-yl)ethan-1-one

T622-0429 Screening compound: 1-{4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl}-2-(pyridin-3-yl)ethan-1-one
T622-0429 Screening compound: 1-{4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl}-2-(pyridin-3-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T622-0429
1-{4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl}-2-(pyridin-3-yl)ethan-1-one

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

T622-0429

Molecular Formula

C24H38N4O2 (C24 H38 N4 O2)

Compound Name

1-{4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl}-2-(pyridin-3-yl)ethan-1-one

IUPAC name

1-{4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl}-2-(pyridin-3-yl)ethan-1-one

SMILES

CC(C)CN(CC1)CCN1C1CC(CC2)(CCN2C(Cc2cnccc2)=O)OCC1

InChI

InChI=1S/C24H38N4O2/c1-20(2)19-26-11-13-27(14-12-26)22-5-15-30-24(17-22)6-9-28(10-7-24)23(29)16-21-4-3-8-25-18-21/h3-4,8,18,20,22H,5-7,9-17,19H2,1-2H3/t22-/m1/s1

InChI Key

RNOWYRPDHCBDGD-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD31977120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.628

Distribution Coefficient, logD

0.990

Water Solubility, LogSw

-0.93

Polar Surface Area

39.384

Acid Dissociation Constant (pKa)

15.34

Base Dissociation Constant (pKb)

7.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

T622-0429 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with T622-0429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T622-0429?
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What is the minimum amount of T622-0429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T622-0429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T622-0429
  • 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 T622-0429 available by request