Y030-5600 Screening compound: 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3,3-dimethylbutan-1-one

Y030-5600 Screening compound: 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3,3-dimethylbutan-1-one
Y030-5600 Screening compound: 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3,3-dimethylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-5600
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3,3-dimethylbutan-1-one

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

Y030-5600

Molecular Formula

C18H26N2O3 (C18 H26 N2 O3)

Compound Name

1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3,3-dimethylbutan-1-one

IUPAC name

1-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-33-dimethylbutan-1-one

SMILES

CC(C)(C)CC(N1CCN(Cc(cc2)cc3c2OCO3)CC1)=O

InChI

InChI=1S/C18H26N2O3/c1-18(2,3)11-17(21)20-8-6-19(7-9-20)12-14-4-5-15-16(10-14)23-13-22-15/h4-5,10H,6-9,11-13H2,1-3H3

InChI Key

ZDJXGDYJPOUJHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02736134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.766

Distribution Coefficient, logD

2.422

Water Solubility, LogSw

-2.89

Polar Surface Area

37.287

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

Y030-5600 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Structure:
  • Pool
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with Y030-5600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-5600?
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What is the minimum amount of Y030-5600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-5600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-5600
  • 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 Y030-5600 available by request