2622-0082 Screening compound: 1-(2,5-dichlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole

2622-0082 Screening compound: 1-(2,5-dichlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
2622-0082 Screening compound: 1-(2,5-dichlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2622-0082
1-(2,5-dichlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-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

2622-0082

Molecular Formula

C22H17Cl2FN2O (C22 H17 Cl2 FN2 O)

Compound Name

1-(2,5-dichlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole

IUPAC name

1-(25-dichlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-45-dihydro-1H-pyrazole

SMILES

COc(cc1)ccc1C(CC1c(cc2)ccc2F)=NN1c(cc(cc1)Cl)c1Cl

InChI

InChI=1S/C22H17Cl2FN2O/c1-28-18-9-4-14(5-10-18)20-13-21(15-2-7-17(25)8-3-15)27(26-20)22-12-16(23)6-11-19(22)24/h2-12,21H,13H2,1H3/t21-/m0/s1

InChI Key

BUWHKYXVZSWQFM-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00626650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.29

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.719

Distribution Coefficient, logD

6.719

Water Solubility, LogSw

-6.66

Polar Surface Area

21.162

Acid Dissociation Constant (pKa)

16.86

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

2622-0082 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 2622-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2622-0082?
Check Price and Availability of 2622-0082, 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 2622-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2622-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2622-0082
  • 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 2622-0082 available by request