Y070-1151 Screening compound: (2E)-2-(1,3-benzothiazol-2-yl)-3-[4-(benzyloxy)phenyl]prop-2-enenitrile

Y070-1151 Screening compound: (2E)-2-(1,3-benzothiazol-2-yl)-3-[4-(benzyloxy)phenyl]prop-2-enenitrile
Y070-1151 Screening compound: (2E)-2-(1,3-benzothiazol-2-yl)-3-[4-(benzyloxy)phenyl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-1151
(2E)-2-(1,3-benzothiazol-2-yl)-3-[4-(benzyloxy)phenyl]prop-2-enenitrile

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

Y070-1151

Molecular Formula

C23H16N2OS (C23 H16 N2 OS)

Compound Name

(2E)-2-(1,3-benzothiazol-2-yl)-3-[4-(benzyloxy)phenyl]prop-2-enenitrile

IUPAC name

(2E)-2-(13-benzothiazol-2-yl)-3-[4-(benzyloxy)phenyl]prop-2-enenitrile

SMILES

N#C/C(/c1nc(cccc2)c2s1)=C\c(cc1)ccc1OCc1ccccc1

InChI

InChI=1S/C23H16N2OS/c24-15-19(23-25-21-8-4-5-9-22(21)27-23)14-17-10-12-20(13-11-17)26-16-18-6-2-1-3-7-18/h1-14H,16H2

InChI Key

LMWGOUIFNVGZAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01784784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.962

Distribution Coefficient, logD

5.962

Water Solubility, LogSw

-6.11

Polar Surface Area

33.971

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

-3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

Y070-1151 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y070-1151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-1151?
Check Price and Availability of Y070-1151, 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 Y070-1151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-1151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-1151
  • 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 Y070-1151 available by request