T622-0456 Screening compound: 9-(furan-2-carbonyl)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecane

T622-0456 Screening compound: 9-(furan-2-carbonyl)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecane
T622-0456 Screening compound: 9-(furan-2-carbonyl)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecane alternative view

Chemical Structure Depiction of ChemDiv screening compound T622-0456
9-(furan-2-carbonyl)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecane

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

T622-0456

Molecular Formula

C22H35N3O3 (C22 H35 N3 O3)

Compound Name

9-(furan-2-carbonyl)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecane

IUPAC name

9-(furan-2-carbonyl)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecane

SMILES

CC(C)CN(CC1)CCN1C1CC(CC2)(CCN2C(c2ccco2)=O)OCC1

InChI

InChI=1S/C22H35N3O3/c1-18(2)17-23-10-12-24(13-11-23)19-5-15-28-22(16-19)6-8-25(9-7-22)21(26)20-4-3-14-27-20/h3-4,14,18-19H,5-13,15-17H2,1-2H3/t19-/m1/s1

InChI Key

WLLZFBZKOSVRHO-LJQANCHMSA-N

MDL Number (MFCD)

MFCD31975484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.053

Distribution Coefficient, logD

1.415

Water Solubility, LogSw

-2.17

Polar Surface Area

38.972

Acid Dissociation Constant (pKa)

25.63

Base Dissociation Constant (pKb)

7.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.27

T622-0456 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T622-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T622-0456?
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What is the minimum amount of T622-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T622-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T622-0456
  • 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 T622-0456 available by request