4341-1681 Screening compound: (2E)-2-(benzenesulfonyl)-3-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile

4341-1681 Screening compound: (2E)-2-(benzenesulfonyl)-3-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
4341-1681 Screening compound: (2E)-2-(benzenesulfonyl)-3-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4341-1681
(2E)-2-(benzenesulfonyl)-3-[3-(3-methyl-4-propoxyphenyl)-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

4341-1681

Molecular Formula

C28H25N3O3S (C28 H25 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc(cc1)c(C)cc1-c(c(/C=C(\C#N)/S(c1ccccc1)(=O)=O)c1)nn1-c1ccccc1

InChI

InChI=1S/C28H25N3O3S/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/h4-15,17-18,20H,3,16H2,1-2H3

InChI Key

AFZXSLDFEZPUFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03011012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

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

6.197

Distribution Coefficient, logD

6.197

Water Solubility, LogSw

-5.68

Polar Surface Area

68.932

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4341-1681 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 4341-1681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4341-1681?
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What is the minimum amount of 4341-1681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4341-1681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4341-1681
  • 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 4341-1681 available by request