8018-7768 Screening compound: 2-[5-(2-oxo-2-phenylethyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

8018-7768 Screening compound: 2-[5-(2-oxo-2-phenylethyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
8018-7768 Screening compound: 2-[5-(2-oxo-2-phenylethyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7768
2-[5-(2-oxo-2-phenylethyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

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

8018-7768

Molecular Formula

C24H20N2O3 (C24 H20 N2 O3)

Compound Name

2-[5-(2-oxo-2-phenylethyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

IUPAC name

2-[5-(2-oxo-2-phenylethyl)-3-phenyl-45-dihydro-1H-pyrazol-1-yl]benzoic acid

SMILES

OC(c(cccc1)c1N(C(CC(c1ccccc1)=O)C1)N=C1c1ccccc1)=O

InChI

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

InChI Key

UTDXPNMECYJFJX-LJQANCHMSA-N

MDL Number (MFCD)

MFCD08532219

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

4.892

Distribution Coefficient, logD

1.843

Water Solubility, LogSw

-4.53

Polar Surface Area

55.225

Acid Dissociation Constant (pKa)

4.35

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

8018-7768 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-7768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7768?
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What is the minimum amount of 8018-7768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7768
  • 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 8018-7768 available by request