5045-2071 Screening compound: 4-[1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)heptyl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

5045-2071 Screening compound: 4-[1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)heptyl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
5045-2071 Screening compound: 4-[1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)heptyl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5045-2071
4-[1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)heptyl]-1,5-dimethyl-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

5045-2071

Molecular Formula

C29H36N4O2 (C29 H36 N4 O2)

Compound Name

4-[1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)heptyl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

IUPAC name

4-[1-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)heptyl]-15-dimethyl-2-phenyl-23-dihydro-1H-pyrazol-3-one

SMILES

CCCCCCC(C(C1=O)=C(C)N(C)N1c1ccccc1)C(C1=O)=C(C)N(C)N1c1ccccc1

InChI

InChI=1S/C29H36N4O2/c1-6-7-8-15-20-25(26-21(2)30(4)32(28(26)34)23-16-11-9-12-17-23)27-22(3)31(5)33(29(27)35)24-18-13-10-14-19-24/h9-14,16-19,25H,6-8,15,20H2,1-5H3

InChI Key

IJHHLFPNBGOUAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00327668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.609

Distribution Coefficient, logD

4.609

Water Solubility, LogSw

-4.34

Polar Surface Area

40.331

Acid Dissociation Constant (pKa)

27.90

Base Dissociation Constant (pKb)

-11.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

5045-2071 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5045-2071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5045-2071?
Check Price and Availability of 5045-2071, 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 5045-2071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5045-2071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5045-2071
  • 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 5045-2071 available by request