8002-4589 Screening compound: 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazole

8002-4589 Screening compound: 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazole
8002-4589 Screening compound: 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-4589
5-(4-bromophenyl)-3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-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

8002-4589

Molecular Formula

C23H18BrF3N2O (C23 H18 BrF3 N2 O)

Compound Name

5-(4-bromophenyl)-3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazole

IUPAC name

5-(4-bromophenyl)-3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-45-dihydro-1H-pyrazole

SMILES

COc(cc1)ccc1C(CC1c(cc2)ccc2Br)=NN1c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C23H18BrF3N2O/c1-30-20-11-7-15(8-12-20)21-14-22(16-5-9-18(24)10-6-16)29(28-21)19-4-2-3-17(13-19)23(25,26)27/h2-13,22H,14H2,1H3/t22-/m0/s1

InChI Key

XFECELHTDUBAAM-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00732657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.31

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.327

Distribution Coefficient, logD

7.327

Water Solubility, LogSw

-6.02

Polar Surface Area

21.462

Acid Dissociation Constant (pKa)

17.10

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

8002-4589 in Drug Discovery

Included in Screening Libraries

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 8002-4589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-4589?
Check Price and Availability of 8002-4589, 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 8002-4589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-4589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-4589
  • 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 8002-4589 available by request