P014-1108 Screening compound: N-{1-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}-3,4-dimethylbenzamide

P014-1108 Screening compound: N-{1-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}-3,4-dimethylbenzamide
P014-1108 Screening compound: N-{1-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}-3,4-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P014-1108
N-{1-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}-3,4-dimethylbenzamide

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

P014-1108

Molecular Formula

C25H28N4O3 (C25 H28 N4 O3)

Compound Name

N-{1-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}-3,4-dimethylbenzamide

IUPAC name

N-{1-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}-34-dimethylbenzamide

SMILES

Cc(cc1)c(C)cc1C(NC(CC1)CCN1C(c1cc(-c(cc2)ccc2OC)n[nH]1)=O)=O

InChI

InChI=1S/C25H28N4O3/c1-16-4-5-19(14-17(16)2)24(30)26-20-10-12-29(13-11-20)25(31)23-15-22(27-28-23)18-6-8-21(32-3)9-7-18/h4-9,14-15,20H,10-13H2,1-3H3,(H,26,30)(H,27,28)

InChI Key

WHSZDGWISAGBIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27558629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.269

Distribution Coefficient, logD

4.269

Water Solubility, LogSw

-4.23

Polar Surface Area

70.867

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

P014-1108 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 P014-1108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P014-1108?
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What is the minimum amount of P014-1108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P014-1108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P014-1108
  • 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 P014-1108 available by request