0836-0031 Screening compound: 3-(4-ethylphenyl)-5-(4-fluorophenyl)-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole

0836-0031 Screening compound: 3-(4-ethylphenyl)-5-(4-fluorophenyl)-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole
0836-0031 Screening compound: 3-(4-ethylphenyl)-5-(4-fluorophenyl)-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0836-0031
3-(4-ethylphenyl)-5-(4-fluorophenyl)-1-(4-nitrophenyl)-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

0836-0031

Molecular Formula

C23H20FN3O2 (C23 H20 FN3 O2)

Compound Name

3-(4-ethylphenyl)-5-(4-fluorophenyl)-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole

IUPAC name

3-(4-ethylphenyl)-5-(4-fluorophenyl)-1-(4-nitrophenyl)-45-dihydro-1H-pyrazole

SMILES

CCc(cc1)ccc1C(CC1c(cc2)ccc2F)=NN1c(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C23H20FN3O2/c1-2-16-3-5-17(6-4-16)22-15-23(18-7-9-19(24)10-8-18)26(25-22)20-11-13-21(14-12-20)27(28)29/h3-14,23H,2,15H2,1H3/t23-/m0/s1

InChI Key

DJFYUXRIWMYEAJ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00287337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.570

Distribution Coefficient, logD

6.570

Water Solubility, LogSw

-5.99

Polar Surface Area

47.300

Acid Dissociation Constant (pKa)

17.10

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

0836-0031 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 0836-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0836-0031?
Check Price and Availability of 0836-0031, 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 0836-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0836-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0836-0031
  • 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 0836-0031 available by request