Y020-1166 Screening compound: 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[4-(2-furylcarbonyl)piperazino]-1-ethanone

Y020-1166 Screening compound: 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[4-(2-furylcarbonyl)piperazino]-1-ethanone
Y020-1166 Screening compound: 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[4-(2-furylcarbonyl)piperazino]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-1166
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[4-(2-furylcarbonyl)piperazino]-1-ethanone

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

Y020-1166

Molecular Formula

C25H25N3O3 (C25 H25 N3 O3)

Compound Name

1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[4-(2-furylcarbonyl)piperazino]-1-ethanone

IUPAC name

1-{2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-2-yl}-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one

SMILES

O=C(CN(CC1)CCN1C(c1ccco1)=O)N(c1c(CC2)cccc1)c1c2cccc1

InChI

InChI=1S/C25H25N3O3/c29-24(18-26-13-15-27(16-14-26)25(30)23-10-5-17-31-23)28-21-8-3-1-6-19(21)11-12-20-7-2-4-9-22(20)28/h1-10,17H,11-16,18H2

InChI Key

YBLOACJHCBCWET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06192400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.262

Distribution Coefficient, logD

3.262

Water Solubility, LogSw

-3.27

Polar Surface Area

42.712

Acid Dissociation Constant (pKa)

21.61

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

Y020-1166 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

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

DGK Inhibitors Library (10558 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Targets:
  • Kinases
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with Y020-1166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-1166?
Check Price and Availability of Y020-1166, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y020-1166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-1166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-1166
  • 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 Y020-1166 available by request