Y020-3353 Screening compound: 9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile

Y020-3353 Screening compound: 9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile
Y020-3353 Screening compound: 9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-3353
9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[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

Y020-3353

Molecular Formula

C16H25N5O (C16 H25 N5 O)

Compound Name

9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile

IUPAC name

9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-13-diazaspiro[5.5]undec-2-ene-5-carbonitrile

SMILES

CC(CC1)CCC1(C1C#N)NC(N2CCN(C)CC2)=NC1=O

InChI

InChI=1S/C16H25N5O/c1-12-3-5-16(6-4-12)13(11-17)14(22)18-15(19-16)21-9-7-20(2)8-10-21/h12-13H,3-10H2,1-2H3,(H,18,19,22)/t12?,13-,16?/m1/s1

InChI Key

CAMJBKNKKOEKAP-MFOWVQHXSA-N

MDL Number (MFCD)

MFCD09463442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.136

Distribution Coefficient, logD

1.136

Water Solubility, LogSw

-1.99

Polar Surface Area

59.481

Acid Dissociation Constant (pKa)

4.88

Base Dissociation Constant (pKb)

9.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

81.30

Y020-3353 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Integrin Receptors Targeted library (1715 compounds)

KRAS-Targeted Library (16000 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Others
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-3353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-3353?
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What is the minimum amount of Y020-3353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-3353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-3353
  • 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 Y020-3353 available by request