S065-0139 Screening compound: N-{1-[6-(PYRROLIDIN-1-YL)PYRIMIDIN-4-YL]PIPERIDIN-3-YL}BENZAMIDE

S065-0139 Screening compound: N-{1-[6-(PYRROLIDIN-1-YL)PYRIMIDIN-4-YL]PIPERIDIN-3-YL}BENZAMIDE
S065-0139 Screening compound: N-{1-[6-(PYRROLIDIN-1-YL)PYRIMIDIN-4-YL]PIPERIDIN-3-YL}BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S065-0139
N-{1-[6-(PYRROLIDIN-1-YL)PYRIMIDIN-4-YL]PIPERIDIN-3-YL}BENZAMIDE

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

S065-0139

Molecular Formula

C20H25N5O (C20 H25 N5 O)

Compound Name

N-{1-[6-(PYRROLIDIN-1-YL)PYRIMIDIN-4-YL]PIPERIDIN-3-YL}BENZAMIDE

IUPAC name

n/a

SMILES

O=C(c1ccccc1)NC(CCC1)CN1c1ncnc(N2CCCC2)c1

InChI

InChI=1S/C20H25N5O/c26-20(16-7-2-1-3-8-16)23-17-9-6-12-25(14-17)19-13-18(21-15-22-19)24-10-4-5-11-24/h1-3,7-8,13,15,17H,4-6,9-12,14H2,(H,23,26)/t17-/m0/s1

InChI Key

JHLWNZNRADELPT-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27617511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.455

Distribution Coefficient, logD

3.454

Water Solubility, LogSw

-3.69

Polar Surface Area

50.126

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

S065-0139 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S065-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S065-0139?
Check Price and Availability of S065-0139, 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 S065-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S065-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S065-0139
  • 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 S065-0139 available by request