Y020-1656 Screening compound: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile

Y020-1656 Screening compound: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile
Y020-1656 Screening compound: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-1656
2-[4-(4-methoxyphenyl)piperazin-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

Y020-1656

Molecular Formula

C21H27N5O2 (C21 H27 N5 O2)

Compound Name

2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile

IUPAC name

2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-13-diazaspiro[5.5]undec-2-ene-5-carbonitrile

SMILES

COc(cc1)ccc1N(CC1)CCN1C(NC1(CCCCC1)C1C#N)=NC1=O

InChI

InChI=1S/C21H27N5O2/c1-28-17-7-5-16(6-8-17)25-11-13-26(14-12-25)20-23-19(27)18(15-22)21(24-20)9-3-2-4-10-21/h5-8,18H,2-4,9-14H2,1H3,(H,23,24,27)/t18-/m1/s1

InChI Key

ZIISMODHKSYFGB-GOSISDBHSA-N

MDL Number (MFCD)

MFCD06754758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.537

Distribution Coefficient, logD

-2.151

Water Solubility, LogSw

-2.96

Polar Surface Area

66.808

Acid Dissociation Constant (pKa)

4.88

Base Dissociation Constant (pKb)

9.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

Y020-1656 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y020-1656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-1656?
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What is the minimum amount of Y020-1656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-1656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-1656
  • 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 Y020-1656 available by request