8010-4796 Screening compound: 1-(2-fluorophenyl)-3-(4-fluorophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazole

8010-4796 Screening compound: 1-(2-fluorophenyl)-3-(4-fluorophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazole
8010-4796 Screening compound: 1-(2-fluorophenyl)-3-(4-fluorophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4796
1-(2-fluorophenyl)-3-(4-fluorophenyl)-5-(2-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

8010-4796

Molecular Formula

C22H18F2N2O (C22 H18 F2 N2 O)

Compound Name

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

IUPAC name

1-(2-fluorophenyl)-3-(4-fluorophenyl)-5-(2-methoxyphenyl)-45-dihydro-1H-pyrazole

SMILES

COc1c(C(C2)N(c(cccc3)c3F)N=C2c(cc2)ccc2F)cccc1

InChI

InChI=1S/C22H18F2N2O/c1-27-22-9-5-2-6-17(22)21-14-19(15-10-12-16(23)13-11-15)25-26(21)20-8-4-3-7-18(20)24/h2-13,21H,14H2,1H3/t21-/m0/s1

InChI Key

RJBDIYURXOYOAJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02069411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.39

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

5.822

Distribution Coefficient, logD

5.822

Water Solubility, LogSw

-5.79

Polar Surface Area

21.248

Acid Dissociation Constant (pKa)

17.56

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.64

8010-4796 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8010-4796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4796?
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What is the minimum amount of 8010-4796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4796
  • 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 8010-4796 available by request