P634-0311 Screening compound: 3-{1-[6-(cyclopropylamino)-4-pyrimidinyl]-3-piperidyl}-N-[(1-ethyl-2-pyrrolidinyl)methyl]propanamide

P634-0311 Screening compound: 3-{1-[6-(cyclopropylamino)-4-pyrimidinyl]-3-piperidyl}-N-[(1-ethyl-2-pyrrolidinyl)methyl]propanamide
P634-0311 Screening compound: 3-{1-[6-(cyclopropylamino)-4-pyrimidinyl]-3-piperidyl}-N-[(1-ethyl-2-pyrrolidinyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P634-0311
3-{1-[6-(cyclopropylamino)-4-pyrimidinyl]-3-piperidyl}-N-[(1-ethyl-2-pyrrolidinyl)methyl]propanamide

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

P634-0311

Molecular Formula

C22H36N6O (C22 H36 N6 O)

Compound Name

3-{1-[6-(cyclopropylamino)-4-pyrimidinyl]-3-piperidyl}-N-[(1-ethyl-2-pyrrolidinyl)methyl]propanamide

IUPAC name

3-{1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl}-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide

SMILES

CCN1C(CNC(CCC(CCC2)CN2c2ncnc(NC3CC3)c2)=O)CCC1

InChI

InChI=1S/C22H36N6O/c1-2-27-11-4-6-19(27)14-23-22(29)10-7-17-5-3-12-28(15-17)21-13-20(24-16-25-21)26-18-8-9-18/h13,16-19H,2-12,14-15H2,1H3,(H,23,29)(H,24,25,26)

InChI Key

WAKNLWWSCDEJDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27607868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.617

Distribution Coefficient, logD

1.433

Water Solubility, LogSw

-2.79

Polar Surface Area

61.862

Acid Dissociation Constant (pKa)

13.54

Base Dissociation Constant (pKb)

8.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

77.27

P634-0311 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with P634-0311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P634-0311?
Check Price and Availability of P634-0311, 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 P634-0311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P634-0311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P634-0311
  • 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 P634-0311 available by request