Y020-2861 Screening compound: 9-benzyl-2-(4-ethylpiperazin-1-yl)-4-oxo-1,3,9-triazaspiro[5.5]undec-2-ene-5-carbonitrile

Y020-2861 Screening compound: 9-benzyl-2-(4-ethylpiperazin-1-yl)-4-oxo-1,3,9-triazaspiro[5.5]undec-2-ene-5-carbonitrile
Y020-2861 Screening compound: 9-benzyl-2-(4-ethylpiperazin-1-yl)-4-oxo-1,3,9-triazaspiro[5.5]undec-2-ene-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-2861
9-benzyl-2-(4-ethylpiperazin-1-yl)-4-oxo-1,3,9-triazaspiro[5.5]undec-2-ene-5-carbonitrile

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

Y020-2861

Molecular Formula

C22H30N6O (C22 H30 N6 O)

Compound Name

9-benzyl-2-(4-ethylpiperazin-1-yl)-4-oxo-1,3,9-triazaspiro[5.5]undec-2-ene-5-carbonitrile

IUPAC name

9-benzyl-2-(4-ethylpiperazin-1-yl)-4-oxo-139-triazaspiro[5.5]undec-2-ene-5-carbonitrile

SMILES

CCN(CC1)CCN1C(NC1(CCN(Cc2ccccc2)CC1)C1C#N)=NC1=O

InChI

InChI=1S/C22H30N6O/c1-2-26-12-14-28(15-13-26)21-24-20(29)19(16-23)22(25-21)8-10-27(11-9-22)17-18-6-4-3-5-7-18/h3-7,19H,2,8-15,17H2,1H3,(H,24,25,29)/t19-/m1/s1

InChI Key

GUCASFRTKWGJJR-LJQANCHMSA-N

MDL Number (MFCD)

MFCD09766204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.227

Distribution Coefficient, logD

1.227

Water Solubility, LogSw

-2.14

Polar Surface Area

63.081

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

9.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

Y020-2861 in Drug Discovery

Included in Screening Libraries

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

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y020-2861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-2861?
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What is the minimum amount of Y020-2861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-2861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-2861
  • 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 Y020-2861 available by request