P634-0047 Screening compound: N-methyl-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl}-N-[2-(pyridin-4-yl)ethyl]propanamide

P634-0047 Screening compound: N-methyl-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl}-N-[2-(pyridin-4-yl)ethyl]propanamide
P634-0047 Screening compound: N-methyl-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl}-N-[2-(pyridin-4-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P634-0047
N-methyl-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl}-N-[2-(pyridin-4-yl)ethyl]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

P634-0047

Molecular Formula

C23H34N6O (C23 H34 N6 O)

Compound Name

N-methyl-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl}-N-[2-(pyridin-4-yl)ethyl]propanamide

IUPAC name

N-methyl-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl}-N-[2-(pyridin-4-yl)ethyl]propanamide

SMILES

CCCNc1cc(N2CC(CCC(N(C)CCc3ccncc3)=O)CCC2)ncn1

InChI

InChI=1S/C23H34N6O/c1-3-11-25-21-16-22(27-18-26-21)29-14-4-5-20(17-29)6-7-23(30)28(2)15-10-19-8-12-24-13-9-19/h8-9,12-13,16,18,20H,3-7,10-11,14-15,17H2,1-2H3,(H,25,26,27)/t20-/m1/s1

InChI Key

TWSWSSOBKGCWGG-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27607663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.120

Distribution Coefficient, logD

3.075

Water Solubility, LogSw

-3.17

Polar Surface Area

58.842

Acid Dissociation Constant (pKa)

18.54

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.50

P634-0047 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 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

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P634-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P634-0047?
Check Price and Availability of P634-0047, 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 P634-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P634-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P634-0047
  • 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 P634-0047 available by request