Y020-0171 Screening compound: 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(2-pyrimidinylsulfanyl)-1-ethanone

Y020-0171 Screening compound: 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(2-pyrimidinylsulfanyl)-1-ethanone
Y020-0171 Screening compound: 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(2-pyrimidinylsulfanyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0171
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(2-pyrimidinylsulfanyl)-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

Y020-0171

Molecular Formula

C20H17N3OS (C20 H17 N3 OS)

Compound Name

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

IUPAC name

1-{2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-2-yl}-2-(pyrimidin-2-ylsulfanyl)ethan-1-one

SMILES

O=C(CSc1ncccn1)N(c1c(CC2)cccc1)c1c2cccc1

InChI

InChI=1S/C20H17N3OS/c24-19(14-25-20-21-12-5-13-22-20)23-17-8-3-1-6-15(17)10-11-16-7-2-4-9-18(16)23/h1-9,12-13H,10-11,14H2

InChI Key

OTBCOCQAXFXPFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02817276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.940

Distribution Coefficient, logD

3.940

Water Solubility, LogSw

-4.09

Polar Surface Area

31.831

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

Y020-0171 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y020-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0171?
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What is the minimum amount of Y020-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0171
  • 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 Y020-0171 available by request