L094-3121 Screening compound: N-[(3,4-dimethylphenyl)methyl]-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-4-carboxamide

L094-3121 Screening compound: N-[(3,4-dimethylphenyl)methyl]-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
L094-3121 Screening compound: N-[(3,4-dimethylphenyl)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 L094-3121
N-[(3,4-dimethylphenyl)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

L094-3121

Molecular Formula

C27H30N6O (C27 H30 N6 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-n(cc12)nc2ncnc1N(CC1)CCC1C(NCc1cc(C)c(C)cc1)=O

InChI

InChI=1S/C27H30N6O/c1-18-4-8-23(9-5-18)33-16-24-25(31-33)29-17-30-26(24)32-12-10-22(11-13-32)27(34)28-15-21-7-6-19(2)20(3)14-21/h4-9,14,16-17,22H,10-13,15H2,1-3H3,(H,28,34)

InChI Key

HMYDYVJVOWWFSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27231996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.903

Distribution Coefficient, logD

4.895

Water Solubility, LogSw

-4.54

Polar Surface Area

63.022

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L094-3121 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Kinases Inhibitors Library (36801 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
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L094-3121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L094-3121?
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What is the minimum amount of L094-3121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L094-3121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L094-3121
  • 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 L094-3121 available by request