P843-0171 Screening compound: N-cyclopropyl-6-(3-{[(2,3-dimethoxyphenyl)methyl]amino}pyrrolidin-1-yl)pyridine-3-carboxamide

P843-0171 Screening compound: N-cyclopropyl-6-(3-{[(2,3-dimethoxyphenyl)methyl]amino}pyrrolidin-1-yl)pyridine-3-carboxamide
P843-0171 Screening compound: N-cyclopropyl-6-(3-{[(2,3-dimethoxyphenyl)methyl]amino}pyrrolidin-1-yl)pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P843-0171
N-cyclopropyl-6-(3-{[(2,3-dimethoxyphenyl)methyl]amino}pyrrolidin-1-yl)pyridine-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

P843-0171

Molecular Formula

C22H28N4O3 (C22 H28 N4 O3)

Compound Name

N-cyclopropyl-6-(3-{[(2,3-dimethoxyphenyl)methyl]amino}pyrrolidin-1-yl)pyridine-3-carboxamide

IUPAC name

N-cyclopropyl-6-(3-{[(23-dimethoxyphenyl)methyl]amino}pyrrolidin-1-yl)pyridine-3-carboxamide

SMILES

COc1cccc(CNC(CC2)CN2c(cc2)ncc2C(NC2CC2)=O)c1OC

InChI

InChI=1S/C22H28N4O3/c1-28-19-5-3-4-15(21(19)29-2)12-23-18-10-11-26(14-18)20-9-6-16(13-24-20)22(27)25-17-7-8-17/h3-6,9,13,17-18,23H,7-8,10-12,14H2,1-2H3,(H,25,27)/t18-/m1/s1

InChI Key

OJAYVUHDCMNUNQ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27615518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.475

Distribution Coefficient, logD

0.188

Water Solubility, LogSw

-2.57

Polar Surface Area

63.498

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

9.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

P843-0171 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P843-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P843-0171?
Check Price and Availability of P843-0171, 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 P843-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P843-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P843-0171
  • 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 P843-0171 available by request