L094-3133 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-4-carboxamide

L094-3133 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
L094-3133 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L094-3133
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-4-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

L094-3133

Molecular Formula

C26H26N6O3 (C26 H26 N6 O3)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-4-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-1-[2-(4-methylphenyl)-2H-pyrazolo[34-d]pyrimidin-4-yl]piperidine-4-carboxamide

SMILES

Cc(cc1)ccc1-n(cc12)nc2ncnc1N(CC1)CCC1C(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C26H26N6O3/c1-17-2-5-20(6-3-17)32-14-21-24(30-32)28-15-29-25(21)31-10-8-19(9-11-31)26(33)27-13-18-4-7-22-23(12-18)35-16-34-22/h2-7,12,14-15,19H,8-11,13,16H2,1H3,(H,27,33)

InChI Key

XIOQIOVMBHFJRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27231997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.796

Distribution Coefficient, logD

3.789

Water Solubility, LogSw

-3.72

Polar Surface Area

80.137

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

L094-3133 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L094-3133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L094-3133?
Check Price and Availability of L094-3133, 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 L094-3133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L094-3133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L094-3133
  • 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 L094-3133 available by request