E239-0188 Screening compound: 2-{2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-(3,5-dimethylphenyl)acetamide

E239-0188 Screening compound: 2-{2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-(3,5-dimethylphenyl)acetamide
E239-0188 Screening compound: 2-{2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-(3,5-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E239-0188
2-{2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-(3,5-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

E239-0188

Molecular Formula

C29H27ClN4O3S (C29 H27 ClN4 O3 S)

Compound Name

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

IUPAC name

2-{2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-4-oxo-45-dihydro-13-thiazol-5-yl}-N-(35-dimethylphenyl)acetamide

SMILES

Cc1cc(NC(CC2SC(N(C(C3)c(cc4)ccc4OC)N=C3c(cc3)ccc3Cl)=NC2=O)=O)cc(C)c1

InChI

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

InChI Key

VGUMZMJKPKWGDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14852078

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

6.280

Distribution Coefficient, logD

6.280

Water Solubility, LogSw

-6.38

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 E239-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E239-0188?
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What is the minimum amount of E239-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E239-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E239-0188
  • 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 E239-0188 available by request