6147-1248 Screening compound: (2Z)-3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-chlorobenzenesulfonyl)prop-2-enenitrile

6147-1248 Screening compound: (2Z)-3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-chlorobenzenesulfonyl)prop-2-enenitrile
6147-1248 Screening compound: (2Z)-3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-chlorobenzenesulfonyl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6147-1248
(2Z)-3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-chlorobenzenesulfonyl)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

6147-1248

Molecular Formula

C26H16ClN3O3S (C26 H16 ClN3 O3 S)

Compound Name

(2Z)-3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-chlorobenzenesulfonyl)prop-2-enenitrile

IUPAC name

(2Z)-3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-chlorobenzenesulfonyl)prop-2-enenitrile

SMILES

N#C/C(/S(c(cc1)ccc1Cl)(=O)=O)=C/c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1

InChI

InChI=1S/C26H16ClN3O3S/c27-20-10-12-22(13-11-20)34(31,32)23(16-28)14-19-17-30(21-7-2-1-3-8-21)29-26(19)25-15-18-6-4-5-9-24(18)33-25/h1-15,17H

InChI Key

BXWCMVWRTHUZLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04446992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.253

Distribution Coefficient, logD

6.253

Water Solubility, LogSw

-6.68

Polar Surface Area

69.721

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

6147-1248 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 6147-1248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6147-1248?
Check Price and Availability of 6147-1248, 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 6147-1248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6147-1248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6147-1248
  • 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 6147-1248 available by request