4341-1741 Screening compound: (2E)-2-(benzenesulfonyl)-3-{3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile

4341-1741 Screening compound: (2E)-2-(benzenesulfonyl)-3-{3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
4341-1741 Screening compound: (2E)-2-(benzenesulfonyl)-3-{3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4341-1741
(2E)-2-(benzenesulfonyl)-3-{3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-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

4341-1741

Molecular Formula

C28H23N3O3S (C28 H23 N3 O3 S)

Compound Name

(2E)-2-(benzenesulfonyl)-3-{3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile

IUPAC name

(2E)-2-(benzenesulfonyl)-3-{3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile

SMILES

Cc(cc(cc1)-c(c(/C=C(\C#N)/S(c2ccccc2)(=O)=O)c2)nn2-c2ccccc2)c1OCC=C

InChI

InChI=1S/C28H23N3O3S/c1-3-16-34-27-15-14-22(17-21(27)2)28-23(20-31(30-28)24-10-6-4-7-11-24)18-26(19-29)35(32,33)25-12-8-5-9-13-25/h3-15,17-18,20H,1,16H2,2H3

InChI Key

NLALJCNJCWBGTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.959

Distribution Coefficient, logD

5.959

Water Solubility, LogSw

-5.72

Polar Surface Area

68.932

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

4341-1741 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4341-1741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4341-1741?
Check Price and Availability of 4341-1741, 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 4341-1741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4341-1741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4341-1741
  • 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 4341-1741 available by request