L094-3662 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide

L094-3662 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
L094-3662 Screening compound: N-[2-(cyclohex-1-en-1-yl)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 L094-3662
N-[2-(cyclohex-1-en-1-yl)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

L094-3662

Molecular Formula

C26H32N6O (C26 H32 N6 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-n(cc12)nc2ncnc1N(CCC1)CC1C(NCCC1=CCCCC1)=O

InChI

InChI=1S/C26H32N6O/c1-19-9-11-22(12-10-19)32-17-23-24(30-32)28-18-29-25(23)31-15-5-8-21(16-31)26(33)27-14-13-20-6-3-2-4-7-20/h6,9-12,17-18,21H,2-5,7-8,13-16H2,1H3,(H,27,33)/t21-/m0/s1

InChI Key

VRNYKZKLUDVILE-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27232021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.272

Distribution Coefficient, logD

4.265

Water Solubility, LogSw

-4.08

Polar Surface Area

62.989

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

L094-3662 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L094-3662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L094-3662?
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What is the minimum amount of L094-3662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L094-3662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L094-3662
  • 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 L094-3662 available by request