Y021-1462 Screening compound: 2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl thiocyanate

Y021-1462 Screening compound: 2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl thiocyanate
Y021-1462 Screening compound: 2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl thiocyanate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1462
2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl thiocyanate

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

Y021-1462

Molecular Formula

C17H14N2OS (C17 H14 N2 OS)

Compound Name

2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl thiocyanate

IUPAC name

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

SMILES

N#CSCC(N(c1c(CC2)cccc1)c1c2cccc1)=O

InChI

InChI=1S/C17H14N2OS/c18-12-21-11-17(20)19-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)19/h1-8H,9-11H2

InChI Key

BWJPRMXKIWYPAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01958158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.743

Distribution Coefficient, logD

3.743

Water Solubility, LogSw

-4.05

Polar Surface Area

31.742

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

Y021-1462 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with Y021-1462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1462?
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What is the minimum amount of Y021-1462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1462
  • 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 Y021-1462 available by request