1126-0020 Screening compound: (2E)-1-{[1,1'-biphenyl]-4-yl}-3-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)prop-2-en-1-one

1126-0020 Screening compound: (2E)-1-{[1,1'-biphenyl]-4-yl}-3-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)prop-2-en-1-one
1126-0020 Screening compound: (2E)-1-{[1,1'-biphenyl]-4-yl}-3-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1126-0020
(2E)-1-{[1,1'-biphenyl]-4-yl}-3-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)prop-2-en-1-one

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

1126-0020

Molecular Formula

C30H24N2O (C30 H24 N2 O)

Compound Name

(2E)-1-{[1,1'-biphenyl]-4-yl}-3-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)prop-2-en-1-one

IUPAC name

(2E)-1-{[11'-biphenyl]-4-yl}-3-(15-diphenyl-45-dihydro-1H-pyrazol-3-yl)prop-2-en-1-one

SMILES

O=C(/C=C/C(CC1c2ccccc2)=NN1c1ccccc1)c(cc1)ccc1-c1ccccc1

InChI

InChI=1S/C30H24N2O/c33-30(26-18-16-24(17-19-26)23-10-4-1-5-11-23)21-20-27-22-29(25-12-6-2-7-13-25)32(31-27)28-14-8-3-9-15-28/h1-21,29H,22H2/t29-/m1/s1

InChI Key

KIFCNWJRTXNGKJ-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD00806991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.268

Distribution Coefficient, logD

7.268

Water Solubility, LogSw

-6.38

Polar Surface Area

26.798

Acid Dissociation Constant (pKa)

17.91

Base Dissociation Constant (pKb)

2.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.70

1126-0020 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1126-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1126-0020?
Check Price and Availability of 1126-0020, 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 1126-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1126-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1126-0020
  • 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 1126-0020 available by request