8001-2691 Screening compound: 1-(4-bromophenyl)-3-(4-fluorophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole

8001-2691 Screening compound: 1-(4-bromophenyl)-3-(4-fluorophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
8001-2691 Screening compound: 1-(4-bromophenyl)-3-(4-fluorophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-2691
1-(4-bromophenyl)-3-(4-fluorophenyl)-5-(thiophen-2-yl)-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

8001-2691

Molecular Formula

C19H14BrFN2S (C19 H14 BrFN2 S)

Compound Name

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

IUPAC name

1-(4-bromophenyl)-3-(4-fluorophenyl)-5-(thiophen-2-yl)-45-dihydro-1H-pyrazole

SMILES

Fc(cc1)ccc1C(CC1c2cccs2)=NN1c(cc1)ccc1Br

InChI

InChI=1S/C19H14BrFN2S/c20-14-5-9-16(10-6-14)23-18(19-2-1-11-24-19)12-17(22-23)13-3-7-15(21)8-4-13/h1-11,18H,12H2/t18-/m0/s1

InChI Key

QNJIPZAEDKVUMA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02109927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.3

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

6.195

Distribution Coefficient, logD

6.195

Water Solubility, LogSw

-6.31

Polar Surface Area

14.937

Acid Dissociation Constant (pKa)

21.60

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

8001-2691 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 8001-2691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-2691?
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What is the minimum amount of 8001-2691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-2691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-2691
  • 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 8001-2691 available by request