L094-3779 Screening compound: N-[1-(4-methoxyphenyl)ethyl]-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide

L094-3779 Screening compound: N-[1-(4-methoxyphenyl)ethyl]-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
L094-3779 Screening compound: N-[1-(4-methoxyphenyl)ethyl]-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L094-3779
N-[1-(4-methoxyphenyl)ethyl]-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide

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

L094-3779

Molecular Formula

C27H30N6O2 (C27 H30 N6 O2)

Compound Name

N-[1-(4-methoxyphenyl)ethyl]-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide

IUPAC name

N-[1-(4-methoxyphenyl)ethyl]-1-[2-(4-methylphenyl)-2H-pyrazolo[34-d]pyrimidin-4-yl]piperidine-3-carboxamide

SMILES

CC(c(cc1)ccc1OC)NC(C(CCC1)CN1c(c1c2)ncnc1nn2-c1ccc(C)cc1)=O

InChI

InChI=1S/C27H30N6O2/c1-18-6-10-22(11-7-18)33-16-24-25(31-33)28-17-29-26(24)32-14-4-5-21(15-32)27(34)30-19(2)20-8-12-23(35-3)13-9-20/h6-13,16-17,19,21H,4-5,14-15H2,1-3H3,(H,30,34)

InChI Key

YLSYDDBFQDXOMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.063

Distribution Coefficient, logD

4.055

Water Solubility, LogSw

-4.00

Polar Surface Area

69.662

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

L094-3779 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L094-3779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L094-3779?
Check Price and Availability of L094-3779, 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 L094-3779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L094-3779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L094-3779
  • 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 L094-3779 available by request