Y070-0812 Screening compound: (2E)-2-(benzenesulfonyl)-3-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enenitrile

Y070-0812 Screening compound: (2E)-2-(benzenesulfonyl)-3-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enenitrile
Y070-0812 Screening compound: (2E)-2-(benzenesulfonyl)-3-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0812
(2E)-2-(benzenesulfonyl)-3-[1-phenyl-3-(thiophen-2-yl)-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

Y070-0812

Molecular Formula

C22H15N3O2S2 (C22 H15 N3 O2 S2)

Compound Name

(2E)-2-(benzenesulfonyl)-3-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enenitrile

IUPAC name

(2E)-2-(benzenesulfonyl)-3-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enenitrile

SMILES

N#C/C(/S(c1ccccc1)(=O)=O)=C\c1cn(-c2ccccc2)nc1-c1cccs1

InChI

InChI=1S/C22H15N3O2S2/c23-15-20(29(26,27)19-10-5-2-6-11-19)14-17-16-25(18-8-3-1-4-9-18)24-22(17)21-12-7-13-28-21/h1-14,16H

InChI Key

RQDYIHKAOXQJMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03212216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.524

Distribution Coefficient, logD

4.524

Water Solubility, LogSw

-4.50

Polar Surface Area

62.446

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y070-0812 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y070-0812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0812?
Check Price and Availability of Y070-0812, 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 Y070-0812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0812
  • 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 Y070-0812 available by request