L813-0018 Screening compound: 2-[1-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethan-1-one

L813-0018 Screening compound: 2-[1-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethan-1-one
L813-0018 Screening compound: 2-[1-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L813-0018
2-[1-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethan-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

L813-0018

Molecular Formula

C27H34N4O (C27 H34 N4 O)

Compound Name

2-[1-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethan-1-one

IUPAC name

2-[1-(34-dimethylphenyl)-35-dimethyl-1H-pyrazol-4-yl]-1-[4-(23-dimethylphenyl)piperazin-1-yl]ethan-1-one

SMILES

Cc1c(CC(N(CC2)CCN2c2c(C)c(C)ccc2)=O)c(C)nn1-c1cc(C)c(C)cc1

InChI

InChI=1S/C27H34N4O/c1-18-10-11-24(16-20(18)3)31-23(6)25(22(5)28-31)17-27(32)30-14-12-29(13-15-30)26-9-7-8-19(2)21(26)4/h7-11,16H,12-15,17H2,1-6H3

InChI Key

YKZSQZLJGCRACE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15135053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.621

Distribution Coefficient, logD

5.621

Water Solubility, LogSw

-5.46

Polar Surface Area

33.737

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

L813-0018 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L813-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L813-0018?
Check Price and Availability of L813-0018, 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 L813-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L813-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L813-0018
  • 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 L813-0018 available by request