L813-0075 Screening compound: 2-[1-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1-[4-(2-fluorophenyl)piperazino]-1-ethanone

L813-0075 Screening compound: 2-[1-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1-[4-(2-fluorophenyl)piperazino]-1-ethanone
L813-0075 Screening compound: 2-[1-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1-[4-(2-fluorophenyl)piperazino]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound L813-0075
2-[1-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1-[4-(2-fluorophenyl)piperazino]-1-ethanone

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

L813-0075

Molecular Formula

C25H29FN4O (C25 H29 FN4 O)

Compound Name

2-[1-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1-[4-(2-fluorophenyl)piperazino]-1-ethanone

IUPAC name

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

SMILES

Cc1c(CC(N(CC2)CCN2c(cccc2)c2F)=O)c(C)nn1-c1cc(C)c(C)cc1

InChI

InChI=1S/C25H29FN4O/c1-17-9-10-21(15-18(17)2)30-20(4)22(19(3)27-30)16-25(31)29-13-11-28(12-14-29)24-8-6-5-7-23(24)26/h5-10,15H,11-14,16H2,1-4H3

InChI Key

MEIRGCALWLFPOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15135058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.53

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

4.676

Distribution Coefficient, logD

4.676

Water Solubility, LogSw

-4.52

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

36.00

References: we are preparing a list of scientific research reports with L813-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L813-0075?
Check Price and Availability of L813-0075, 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 L813-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L813-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L813-0075
  • 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 L813-0075 available by request