T622-0191 Screening compound: 3-cyclopentyl-1-[4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one

T622-0191 Screening compound: 3-cyclopentyl-1-[4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one
T622-0191 Screening compound: 3-cyclopentyl-1-[4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T622-0191
3-cyclopentyl-1-[4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-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

T622-0191

Molecular Formula

C27H41N3O2 (C27 H41 N3 O2)

Compound Name

3-cyclopentyl-1-[4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one

IUPAC name

3-cyclopentyl-1-[4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one

SMILES

O=C(CCC1CCCC1)N(CC1)CCC1(C1)OCCC1N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C27H41N3O2/c31-26(11-10-23-6-4-5-7-23)30-15-13-27(14-16-30)22-25(12-21-32-27)29-19-17-28(18-20-29)24-8-2-1-3-9-24/h1-3,8-9,23,25H,4-7,10-22H2/t25-/m1/s1

InChI Key

AVDDFIBXRHADGI-RUZDIDTESA-N

MDL Number (MFCD)

MFCD31980333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.755

Distribution Coefficient, logD

3.607

Water Solubility, LogSw

-4.03

Polar Surface Area

29.873

Acid Dissociation Constant (pKa)

24.49

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

74.07

T622-0191 in Drug Discovery

Included in Screening Libraries

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)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T622-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T622-0191?
Check Price and Availability of T622-0191, 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 T622-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T622-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T622-0191
  • 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 T622-0191 available by request