P801-0177 Screening compound: 1-[2-(3-phenylpiperazin-1-yl)pyridine-3-carbonyl]-4-(pyrimidin-2-yl)-1,4-diazepane

P801-0177 Screening compound: 1-[2-(3-phenylpiperazin-1-yl)pyridine-3-carbonyl]-4-(pyrimidin-2-yl)-1,4-diazepane
P801-0177 Screening compound: 1-[2-(3-phenylpiperazin-1-yl)pyridine-3-carbonyl]-4-(pyrimidin-2-yl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound P801-0177
1-[2-(3-phenylpiperazin-1-yl)pyridine-3-carbonyl]-4-(pyrimidin-2-yl)-1,4-diazepane

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

P801-0177

Molecular Formula

C25H29N7O (C25 H29 N7 O)

Compound Name

1-[2-(3-phenylpiperazin-1-yl)pyridine-3-carbonyl]-4-(pyrimidin-2-yl)-1,4-diazepane

IUPAC name

1-[2-(3-phenylpiperazin-1-yl)pyridine-3-carbonyl]-4-(pyrimidin-2-yl)-14-diazepane

SMILES

O=C(c1c(N2CC(c3ccccc3)NCC2)nccc1)N(CCC1)CCN1c1ncccn1

InChI

InChI=1S/C25H29N7O/c33-24(30-14-6-15-31(18-17-30)25-28-11-5-12-29-25)21-9-4-10-27-23(21)32-16-13-26-22(19-32)20-7-2-1-3-8-20/h1-5,7-12,22,26H,6,13-19H2

InChI Key

MEPOSGJBXCYNLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29025163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.186

Distribution Coefficient, logD

1.521

Water Solubility, LogSw

-2.96

Polar Surface Area

63.048

Acid Dissociation Constant (pKa)

21.05

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

P801-0177 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P801-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P801-0177?
Check Price and Availability of P801-0177, 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 P801-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P801-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P801-0177
  • 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 P801-0177 available by request