P843-0095 Screening compound: 6-(3-{[(3-methylthiophen-2-yl)methyl]amino}pyrrolidin-1-yl)-N-phenylpyridine-3-carboxamide

P843-0095 Screening compound: 6-(3-{[(3-methylthiophen-2-yl)methyl]amino}pyrrolidin-1-yl)-N-phenylpyridine-3-carboxamide
P843-0095 Screening compound: 6-(3-{[(3-methylthiophen-2-yl)methyl]amino}pyrrolidin-1-yl)-N-phenylpyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P843-0095
6-(3-{[(3-methylthiophen-2-yl)methyl]amino}pyrrolidin-1-yl)-N-phenylpyridine-3-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

P843-0095

Molecular Formula

C22H24N4OS (C22 H24 N4 OS)

Compound Name

6-(3-{[(3-methylthiophen-2-yl)methyl]amino}pyrrolidin-1-yl)-N-phenylpyridine-3-carboxamide

IUPAC name

6-(3-{[(3-methylthiophen-2-yl)methyl]amino}pyrrolidin-1-yl)-N-phenylpyridine-3-carboxamide

SMILES

Cc1c(CNC(CC2)CN2c(cc2)ncc2C(Nc2ccccc2)=O)scc1

InChI

InChI=1S/C22H24N4OS/c1-16-10-12-28-20(16)14-23-19-9-11-26(15-19)21-8-7-17(13-24-21)22(27)25-18-5-3-2-4-6-18/h2-8,10,12-13,19,23H,9,11,14-15H2,1H3,(H,25,27)/t19-/m0/s1

InChI Key

YIDFTRASBNELAU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27615515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.938

Distribution Coefficient, logD

3.388

Water Solubility, LogSw

-3.83

Polar Surface Area

47.791

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

7.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

P843-0095 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P843-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P843-0095?
Check Price and Availability of P843-0095, 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 P843-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P843-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P843-0095
  • 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 P843-0095 available by request