P076-0539 Screening compound: 1'-{1-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carbonyl}-1,4'-bipiperidine

P076-0539 Screening compound: 1'-{1-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carbonyl}-1,4'-bipiperidine
P076-0539 Screening compound: 1'-{1-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carbonyl}-1,4'-bipiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound P076-0539
1'-{1-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carbonyl}-1,4'-bipiperidine

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

P076-0539

Molecular Formula

C28H34N4O (C28 H34 N4 O)

Compound Name

1'-{1-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carbonyl}-1,4'-bipiperidine

IUPAC name

1'-{1-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carbonyl}-14'-bipiperidine

SMILES

Cc1c(Cn2c(C(N(CC3)CCC3N3CCCCC3)=O)cc(-c3ccncc3)c2)cccc1

InChI

InChI=1S/C28H34N4O/c1-22-7-3-4-8-24(22)20-32-21-25(23-9-13-29-14-10-23)19-27(32)28(33)31-17-11-26(12-18-31)30-15-5-2-6-16-30/h3-4,7-10,13-14,19,21,26H,2,5-6,11-12,15-18,20H2,1H3

InChI Key

KHUDNVFNRVIDRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27562907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.819

Distribution Coefficient, logD

1.380

Water Solubility, LogSw

-4.53

Polar Surface Area

30.619

Acid Dissociation Constant (pKa)

26.20

Base Dissociation Constant (pKb)

10.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

P076-0539 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P076-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P076-0539?
Check Price and Availability of P076-0539, 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 P076-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P076-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P076-0539
  • 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 P076-0539 available by request