Y070-2042 Screening compound: (2Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile

Y070-2042 Screening compound: (2Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Y070-2042 Screening compound: (2Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-2042
(2Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]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

Y070-2042

Molecular Formula

C27H20N4OS (C27 H20 N4 OS)

Compound Name

(2Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile

IUPAC name

(2Z)-2-(13-benzothiazol-2-yl)-3-[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile

SMILES

CCOc1cccc(-c(c(/C=C(\c2nc(cccc3)c3s2)/C#N)c2)nn2-c2ccccc2)c1

InChI

InChI=1S/C27H20N4OS/c1-2-32-23-12-8-9-19(16-23)26-21(18-31(30-26)22-10-4-3-5-11-22)15-20(17-28)27-29-24-13-6-7-14-25(24)33-27/h3-16,18H,2H2,1H3

InChI Key

WKONOKVYUJPCCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04029879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.502

Distribution Coefficient, logD

6.502

Water Solubility, LogSw

-5.79

Polar Surface Area

48.500

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

References: we are preparing a list of scientific research reports with Y070-2042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-2042?
Check Price and Availability of Y070-2042, 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 Y070-2042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-2042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-2042
  • 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 Y070-2042 available by request