E239-1351 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{4-oxo-2-[5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-5-yl}acetamide

E239-1351 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{4-oxo-2-[5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-5-yl}acetamide
E239-1351 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{4-oxo-2-[5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E239-1351
N-(2H-1,3-benzodioxol-5-yl)-2-{4-oxo-2-[5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-5-yl}acetamide

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

E239-1351

Molecular Formula

C25H20N4O4S2 (C25 H20 N4 O4 S2)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-{4-oxo-2-[5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-5-yl}acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{4-oxo-2-[5-phenyl-3-(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]-45-dihydro-13-thiazol-5-yl}acetamide

SMILES

O=C(CC1SC(N(C(C2)c3ccccc3)N=C2c2cccs2)=NC1=O)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C25H20N4O4S2/c30-23(26-16-8-9-19-20(11-16)33-14-32-19)13-22-24(31)27-25(35-22)29-18(15-5-2-1-3-6-15)12-17(28-29)21-7-4-10-34-21/h1-11,18,22H,12-14H2,(H,26,30)

InChI Key

UNLRRCGMEDARIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14852286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.684

Distribution Coefficient, logD

4.684

Water Solubility, LogSw

-4.75

Polar Surface Area

77.106

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.00

E239-1351 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E239-1351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E239-1351?
Check Price and Availability of E239-1351, 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 E239-1351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E239-1351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E239-1351
  • 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 E239-1351 available by request