S581-1014 Screening compound: 2-(1-benzyl-2-oxoazepan-3-yl)-N-cyclopropylacetamide

S581-1014 Screening compound: 2-(1-benzyl-2-oxoazepan-3-yl)-N-cyclopropylacetamide
S581-1014 Screening compound: 2-(1-benzyl-2-oxoazepan-3-yl)-N-cyclopropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S581-1014
2-(1-benzyl-2-oxoazepan-3-yl)-N-cyclopropylacetamide

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

S581-1014

Molecular Formula

C18H24N2O2 (C18 H24 N2 O2)

Compound Name

2-(1-benzyl-2-oxoazepan-3-yl)-N-cyclopropylacetamide

IUPAC name

2-(1-benzyl-2-oxoazepan-3-yl)-N-cyclopropylacetamide

SMILES

O=C(CC(CCCCN1Cc2ccccc2)C1=O)NC1CC1

InChI

InChI=1S/C18H24N2O2/c21-17(19-16-9-10-16)12-15-8-4-5-11-20(18(15)22)13-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,19,21)/t15-/m1/s1

InChI Key

JRLUXUFJVFKMHZ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD29011223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.267

Distribution Coefficient, logD

2.267

Water Solubility, LogSw

-2.62

Polar Surface Area

41.444

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

S581-1014 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)

Peptidomimetic Library (37031 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 S581-1014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S581-1014?
Check Price and Availability of S581-1014, 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 S581-1014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S581-1014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S581-1014
  • 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 S581-1014 available by request