T622-0418 Screening compound: [4-(4-isobutylpiperazino)-1-oxa-9-azaspiro[5.5]undec-9-yl](2-pyrazinyl)methanone

T622-0418 Screening compound: [4-(4-isobutylpiperazino)-1-oxa-9-azaspiro[5.5]undec-9-yl](2-pyrazinyl)methanone
T622-0418 Screening compound: [4-(4-isobutylpiperazino)-1-oxa-9-azaspiro[5.5]undec-9-yl](2-pyrazinyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T622-0418
[4-(4-isobutylpiperazino)-1-oxa-9-azaspiro[5.5]undec-9-yl](2-pyrazinyl)methanone

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

T622-0418

Molecular Formula

C22H35N5O2 (C22 H35 N5 O2)

Compound Name

[4-(4-isobutylpiperazino)-1-oxa-9-azaspiro[5.5]undec-9-yl](2-pyrazinyl)methanone

IUPAC name

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

SMILES

CC(C)CN(CC1)CCN1C1CC(CC2)(CCN2C(c2nccnc2)=O)OCC1

InChI

InChI=1S/C22H35N5O2/c1-18(2)17-25-10-12-26(13-11-25)19-3-14-29-22(15-19)4-8-27(9-5-22)21(28)20-16-23-6-7-24-20/h6-7,16,18-19H,3-5,8-15,17H2,1-2H3/t19-/m1/s1

InChI Key

UJBIRKXMEBLLCS-LJQANCHMSA-N

MDL Number (MFCD)

MFCD31977411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.077

Distribution Coefficient, logD

0.439

Water Solubility, LogSw

-1.42

Polar Surface Area

48.960

Acid Dissociation Constant (pKa)

25.63

Base Dissociation Constant (pKb)

7.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.27

T622-0418 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)

Soluble Diversity Library (15920 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

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 T622-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T622-0418?
Check Price and Availability of T622-0418, 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 T622-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T622-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T622-0418
  • 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 T622-0418 available by request