1191-0608 Screening compound: 1-(4-chlorophenyl)-5-(thiophen-2-yl)-3-[(1E)-2-(thiophen-2-yl)ethenyl]-4,5-dihydro-1H-pyrazole

1191-0608 Screening compound: 1-(4-chlorophenyl)-5-(thiophen-2-yl)-3-[(1E)-2-(thiophen-2-yl)ethenyl]-4,5-dihydro-1H-pyrazole
1191-0608 Screening compound: 1-(4-chlorophenyl)-5-(thiophen-2-yl)-3-[(1E)-2-(thiophen-2-yl)ethenyl]-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1191-0608
1-(4-chlorophenyl)-5-(thiophen-2-yl)-3-[(1E)-2-(thiophen-2-yl)ethenyl]-4,5-dihydro-1H-pyrazole

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

1191-0608

Molecular Formula

C19H15ClN2S2 (C19 H15 ClN2 S2)

Compound Name

1-(4-chlorophenyl)-5-(thiophen-2-yl)-3-[(1E)-2-(thiophen-2-yl)ethenyl]-4,5-dihydro-1H-pyrazole

IUPAC name

1-(4-chlorophenyl)-5-(thiophen-2-yl)-3-[(1E)-2-(thiophen-2-yl)ethenyl]-45-dihydro-1H-pyrazole

SMILES

Clc(cc1)ccc1N(C(C1)c2cccs2)N=C1/C=C/c1cccs1

InChI

InChI=1S/C19H15ClN2S2/c20-14-5-8-16(9-6-14)22-18(19-4-2-12-24-19)13-15(21-22)7-10-17-3-1-11-23-17/h1-12,18H,13H2/t18-/m0/s1

InChI Key

DRGPHXMJECBVAO-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00391574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.93

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.068

Distribution Coefficient, logD

6.068

Water Solubility, LogSw

-6.50

Polar Surface Area

15.859

Acid Dissociation Constant (pKa)

21.94

Base Dissociation Constant (pKb)

1.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

1191-0608 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 1191-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1191-0608?
Check Price and Availability of 1191-0608, 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 1191-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1191-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1191-0608
  • 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 1191-0608 available by request