Y020-9432 Screening compound: 4-amino-2-(pyrrolidin-1-yl)-1,3-diazaspiro[5.5]undeca-2,4-diene-5-carbonitrile

Y020-9432 Screening compound: 4-amino-2-(pyrrolidin-1-yl)-1,3-diazaspiro[5.5]undeca-2,4-diene-5-carbonitrile
Y020-9432 Screening compound: 4-amino-2-(pyrrolidin-1-yl)-1,3-diazaspiro[5.5]undeca-2,4-diene-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-9432
4-amino-2-(pyrrolidin-1-yl)-1,3-diazaspiro[5.5]undeca-2,4-diene-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

Y020-9432

Molecular Formula

C14H21N5 (C14 H21 N5)

Compound Name

4-amino-2-(pyrrolidin-1-yl)-1,3-diazaspiro[5.5]undeca-2,4-diene-5-carbonitrile

IUPAC name

4-amino-2-(pyrrolidin-1-yl)-13-diazaspiro[5.5]undeca-24-diene-5-carbonitrile

SMILES

NC(N=C(NC12CCCCC2)N2CCCC2)=C1C#N

InChI

InChI=1S/C14H21N5/c15-10-11-12(16)17-13(19-8-4-5-9-19)18-14(11)6-2-1-3-7-14/h1-9,16H2,(H,17,18)

InChI Key

RUVFHQVIULKYLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20503589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.35

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.807

Distribution Coefficient, logD

-2.547

Water Solubility, LogSw

-2.08

Polar Surface Area

63.901

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

11.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

Y020-9432 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with Y020-9432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-9432?
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What is the minimum amount of Y020-9432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-9432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-9432
  • 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 Y020-9432 available by request