L094-3553 Screening compound: N-[(3,4-dimethylphenyl)methyl]-1-[2-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide

L094-3553 Screening compound: N-[(3,4-dimethylphenyl)methyl]-1-[2-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
L094-3553 Screening compound: N-[(3,4-dimethylphenyl)methyl]-1-[2-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L094-3553
N-[(3,4-dimethylphenyl)methyl]-1-[2-(4-fluorophenyl)-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

L094-3553

Molecular Formula

C26H27FN6O (C26 H27 FN6 O)

Compound Name

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

IUPAC name

N-[(34-dimethylphenyl)methyl]-1-[2-(4-fluorophenyl)-2H-pyrazolo[34-d]pyrimidin-4-yl]piperidine-3-carboxamide

SMILES

Cc1c(C)cc(CNC(C(CCC2)CN2c(c2c3)ncnc2nn3-c(cc2)ccc2F)=O)cc1

InChI

InChI=1S/C26H27FN6O/c1-17-5-6-19(12-18(17)2)13-28-26(34)20-4-3-11-32(14-20)25-23-15-33(31-24(23)29-16-30-25)22-9-7-21(27)8-10-22/h5-10,12,15-16,20H,3-4,11,13-14H2,1-2H3,(H,28,34)/t20-/m0/s1

InChI Key

SOUCWFQEOCGVHU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27232014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

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

4.354

Distribution Coefficient, logD

4.346

Water Solubility, LogSw

-4.16

Polar Surface Area

62.955

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

L094-3553 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L094-3553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L094-3553?
Check Price and Availability of L094-3553, 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 L094-3553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L094-3553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L094-3553
  • 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 L094-3553 available by request