P014-0680 Screening compound: N-{1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}-2H-1,3-benzodioxole-5-carboxamide

P014-0680 Screening compound: N-{1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}-2H-1,3-benzodioxole-5-carboxamide
P014-0680 Screening compound: N-{1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P014-0680
N-{1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}-2H-1,3-benzodioxole-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

P014-0680

Molecular Formula

C25H26N4O4 (C25 H26 N4 O4)

Compound Name

N-{1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-{1-[3-(24-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}-2H-13-benzodioxole-5-carboxamide

SMILES

Cc(cc1)cc(C)c1-c1n[nH]c(C(N(CC2)CCC2NC(c(cc2)cc3c2OCO3)=O)=O)c1

InChI

InChI=1S/C25H26N4O4/c1-15-3-5-19(16(2)11-15)20-13-21(28-27-20)25(31)29-9-7-18(8-10-29)26-24(30)17-4-6-22-23(12-17)33-14-32-22/h3-6,11-13,18H,7-10,14H2,1-2H3,(H,26,30)(H,27,28)

InChI Key

RLQXIJDLVNTIOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22595159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.918

Distribution Coefficient, logD

3.917

Water Solubility, LogSw

-3.92

Polar Surface Area

80.438

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

P014-0680 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with P014-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P014-0680?
Check Price and Availability of P014-0680, 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 P014-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P014-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P014-0680
  • 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 P014-0680 available by request