8018-7055 Screening compound: 2-[1-(2-hydroxybenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazol-4-yl]-1-phenyl-1-ethanone

8018-7055 Screening compound: 2-[1-(2-hydroxybenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazol-4-yl]-1-phenyl-1-ethanone
8018-7055 Screening compound: 2-[1-(2-hydroxybenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazol-4-yl]-1-phenyl-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7055
2-[1-(2-hydroxybenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazol-4-yl]-1-phenyl-1-ethanone

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

8018-7055

Molecular Formula

C24H20N2O3 (C24 H20 N2 O3)

Compound Name

2-[1-(2-hydroxybenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazol-4-yl]-1-phenyl-1-ethanone

IUPAC name

2-[1-(2-hydroxybenzoyl)-3-phenyl-45-dihydro-1H-pyrazol-4-yl]-1-phenylethan-1-one

SMILES

Oc(cccc1)c1C(N(CC1CC(c2ccccc2)=O)N=C1c1ccccc1)=O

InChI

InChI=1S/C24H20N2O3/c27-21-14-8-7-13-20(21)24(29)26-16-19(15-22(28)17-9-3-1-4-10-17)23(25-26)18-11-5-2-6-12-18/h1-14,19,27H,15-16H2/t19-/m1/s1

InChI Key

ONVZTAVOWFVLLK-LJQANCHMSA-N

MDL Number (MFCD)

MFCD08142635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.750

Distribution Coefficient, logD

4.747

Water Solubility, LogSw

-4.11

Polar Surface Area

57.052

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

8018-7055 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8018-7055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7055?
Check Price and Availability of 8018-7055, 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 8018-7055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7055
  • 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 8018-7055 available by request