8002-4555 Screening compound: 1-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole

8002-4555 Screening compound: 1-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole
8002-4555 Screening compound: 1-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-4555
1-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-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

8002-4555

Molecular Formula

C21H15BrF2N2 (C21 H15 BrF2 N2)

Compound Name

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

IUPAC name

1-(2-bromophenyl)-35-bis(4-fluorophenyl)-45-dihydro-1H-pyrazole

SMILES

Fc1ccc(C(C2)N(c(cccc3)c3Br)N=C2c(cc2)ccc2F)cc1

InChI

InChI=1S/C21H15BrF2N2/c22-18-3-1-2-4-20(18)26-21(15-7-11-17(24)12-8-15)13-19(25-26)14-5-9-16(23)10-6-14/h1-12,21H,13H2/t21-/m0/s1

InChI Key

GNVRHFSSIOAAAL-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00472527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.26

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.241

Distribution Coefficient, logD

6.241

Water Solubility, LogSw

-6.37

Polar Surface Area

13.618

Acid Dissociation Constant (pKa)

17.10

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.52

References: we are preparing a list of scientific research reports with 8002-4555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-4555?
Check Price and Availability of 8002-4555, 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 8002-4555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-4555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-4555
  • 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 8002-4555 available by request