Y041-3381 Screening compound: N-(1-benzylpiperidin-4-yl)-4-methyl-1-phenyl-1H-pyrazole-5-carboxamide

Y041-3381 Screening compound: N-(1-benzylpiperidin-4-yl)-4-methyl-1-phenyl-1H-pyrazole-5-carboxamide
Y041-3381 Screening compound: N-(1-benzylpiperidin-4-yl)-4-methyl-1-phenyl-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3381
N-(1-benzylpiperidin-4-yl)-4-methyl-1-phenyl-1H-pyrazole-5-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

Y041-3381

Molecular Formula

C23H26N4O (C23 H26 N4 O)

Compound Name

N-(1-benzylpiperidin-4-yl)-4-methyl-1-phenyl-1H-pyrazole-5-carboxamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-4-methyl-1-phenyl-1H-pyrazole-5-carboxamide

SMILES

Cc1c(C(NC2CCN(Cc3ccccc3)CC2)=O)n(-c2ccccc2)nc1

InChI

InChI=1S/C23H26N4O/c1-18-16-24-27(21-10-6-3-7-11-21)22(18)23(28)25-20-12-14-26(15-13-20)17-19-8-4-2-5-9-19/h2-11,16,20H,12-15,17H2,1H3,(H,25,28)

InChI Key

MNEXHVPZYRWWOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27961312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.473

Distribution Coefficient, logD

2.028

Water Solubility, LogSw

-3.37

Polar Surface Area

41.012

Acid Dissociation Constant (pKa)

15.78

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

Y041-3381 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-3381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3381?
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What is the minimum amount of Y041-3381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3381
  • 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 Y041-3381 available by request