E239-0048 Screening compound: 2-{2-[5-(3-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-(3,4-dimethylphenyl)acetamide

E239-0048 Screening compound: 2-{2-[5-(3-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-(3,4-dimethylphenyl)acetamide
E239-0048 Screening compound: 2-{2-[5-(3-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-(3,4-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E239-0048
2-{2-[5-(3-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-(3,4-dimethylphenyl)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

E239-0048

Molecular Formula

C29H27ClN4O3S (C29 H27 ClN4 O3 S)

Compound Name

2-{2-[5-(3-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-(3,4-dimethylphenyl)acetamide

IUPAC name

2-{2-[5-(3-chlorophenyl)-3-(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-4-oxo-45-dihydro-13-thiazol-5-yl}-N-(34-dimethylphenyl)acetamide

SMILES

Cc(cc1)c(C)cc1NC(CC1SC(N(C(C2)c3cccc(Cl)c3)N=C2c(cc2)ccc2OC)=NC1=O)=O

InChI

InChI=1S/C29H27ClN4O3S/c1-17-7-10-22(13-18(17)2)31-27(35)16-26-28(36)32-29(38-26)34-25(20-5-4-6-21(30)14-20)15-24(33-34)19-8-11-23(37-3)12-9-19/h4-14,25-26H,15-16H2,1-3H3,(H,31,35)

InChI Key

UFFRIQSKMCZCFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14851994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.08

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.584

Distribution Coefficient, logD

6.584

Water Solubility, LogSw

-6.39

Polar Surface Area

66.516

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

1.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with E239-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E239-0048?
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What is the minimum amount of E239-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E239-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E239-0048
  • 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 E239-0048 available by request