P241-0047 Screening compound: 2-cyclopentyl-N~1~-[(4-phenyl-4-oxepanyl)methyl]acetamide

P241-0047 Screening compound: 2-cyclopentyl-N~1~-[(4-phenyl-4-oxepanyl)methyl]acetamide
P241-0047 Screening compound: 2-cyclopentyl-N~1~-[(4-phenyl-4-oxepanyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P241-0047
2-cyclopentyl-N~1~-[(4-phenyl-4-oxepanyl)methyl]acetamide

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

P241-0047

Molecular Formula

C20H29NO2 (C20 H29 NO2)

Compound Name

2-cyclopentyl-N~1~-[(4-phenyl-4-oxepanyl)methyl]acetamide

IUPAC name

2-cyclopentyl-N-[(4-phenyloxepan-4-yl)methyl]acetamide

SMILES

O=C(CC1CCCC1)NCC1(CCOCCC1)c1ccccc1

InChI

InChI=1S/C20H29NO2/c22-19(15-17-7-4-5-8-17)21-16-20(11-6-13-23-14-12-20)18-9-2-1-3-10-18/h1-3,9-10,17H,4-8,11-16H2,(H,21,22)/t20-/m0/s1

InChI Key

WZZNOHFIJUDWGX-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27570080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.758

Distribution Coefficient, logD

3.758

Water Solubility, LogSw

-4.08

Polar Surface Area

33.157

Acid Dissociation Constant (pKa)

13.67

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

P241-0047 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with P241-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P241-0047?
Check Price and Availability of P241-0047, 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 P241-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P241-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P241-0047
  • 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 P241-0047 available by request