2129-0002 Screening compound: 1,5-dimethyl-4-[(1E)-3-[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]-3-phenylprop-1-en-1-yl]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

2129-0002 Screening compound: 1,5-dimethyl-4-[(1E)-3-[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]-3-phenylprop-1-en-1-yl]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
2129-0002 Screening compound: 1,5-dimethyl-4-[(1E)-3-[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]-3-phenylprop-1-en-1-yl]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2129-0002
1,5-dimethyl-4-[(1E)-3-[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]-3-phenylprop-1-en-1-yl]-2-phenyl-2,3-dihydro-1H-pyrazol-3-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

2129-0002

Molecular Formula

C30H26N4O2 (C30 H26 N4 O2)

Compound Name

1,5-dimethyl-4-[(1E)-3-[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]-3-phenylprop-1-en-1-yl]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

IUPAC name

15-dimethyl-4-[(1E)-3-[(4E)-3-methyl-5-oxo-1-phenyl-45-dihydro-1H-pyrazol-4-ylidene]-3-phenylprop-1-en-1-yl]-2-phenyl-23-dihydro-1H-pyrazol-3-one

SMILES

CC(/C(/C1=O)=C(/C=C/C(C2=O)=C(C)N(C)N2c2ccccc2)\c2ccccc2)=NN1c1ccccc1

InChI

InChI=1S/C30H26N4O2/c1-21-28(30(36)33(31-21)24-15-9-5-10-16-24)27(23-13-7-4-8-14-23)20-19-26-22(2)32(3)34(29(26)35)25-17-11-6-12-18-25/h4-20H,1-3H3

InChI Key

IPCSDWUIYCBMAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01179249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.929

Distribution Coefficient, logD

3.929

Water Solubility, LogSw

-3.98

Polar Surface Area

45.497

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

2129-0002 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2129-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2129-0002?
Check Price and Availability of 2129-0002, 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 2129-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2129-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2129-0002
  • 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 2129-0002 available by request