5959-0343 Screening compound: 2-[3,5-bis(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-6-chloro-4-phenylquinazoline

5959-0343 Screening compound: 2-[3,5-bis(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-6-chloro-4-phenylquinazoline
5959-0343 Screening compound: 2-[3,5-bis(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-6-chloro-4-phenylquinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 5959-0343
2-[3,5-bis(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-6-chloro-4-phenylquinazoline

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

5959-0343

Molecular Formula

C25H17ClN4S2 (C25 H17 ClN4 S2)

Compound Name

2-[3,5-bis(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-6-chloro-4-phenylquinazoline

IUPAC name

2-[35-bis(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]-6-chloro-4-phenylquinazoline

SMILES

Clc1cc2c(-c3ccccc3)nc(N(C(C3)c4cccs4)N=C3c3cccs3)nc2cc1

InChI

InChI=1S/C25H17ClN4S2/c26-17-10-11-19-18(14-17)24(16-6-2-1-3-7-16)28-25(27-19)30-21(23-9-5-13-32-23)15-20(29-30)22-8-4-12-31-22/h1-14,21H,15H2/t21-/m0/s1

InChI Key

LHPFFTQBHJBUNJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03674396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.02

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.646

Distribution Coefficient, logD

7.646

Water Solubility, LogSw

-6.88

Polar Surface Area

33.667

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

5959-0343 in Drug Discovery

Included in Screening Libraries

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5959-0343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5959-0343?
Check Price and Availability of 5959-0343, 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 5959-0343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5959-0343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5959-0343
  • 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 5959-0343 available by request