S959-1496 Screening compound: N-{2-[3-(azepan-1-yl)-2-oxopyrrolidin-1-yl]ethyl}furan-2-carboxamide

S959-1496 Screening compound: N-{2-[3-(azepan-1-yl)-2-oxopyrrolidin-1-yl]ethyl}furan-2-carboxamide
S959-1496 Screening compound: N-{2-[3-(azepan-1-yl)-2-oxopyrrolidin-1-yl]ethyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S959-1496
N-{2-[3-(azepan-1-yl)-2-oxopyrrolidin-1-yl]ethyl}furan-2-carboxamide

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

S959-1496

Molecular Formula

C17H25N3O3 (C17 H25 N3 O3)

Compound Name

N-{2-[3-(azepan-1-yl)-2-oxopyrrolidin-1-yl]ethyl}furan-2-carboxamide

IUPAC name

N-{2-[3-(azepan-1-yl)-2-oxopyrrolidin-1-yl]ethyl}furan-2-carboxamide

SMILES

O=C(c1ccco1)NCCN(CCC1N2CCCCCC2)C1=O

InChI

InChI=1S/C17H25N3O3/c21-16(15-6-5-13-23-15)18-8-12-20-11-7-14(17(20)22)19-9-3-1-2-4-10-19/h5-6,13-14H,1-4,7-12H2,(H,18,21)/t14-/m0/s1

InChI Key

CIITUJFTSPOOPS-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32231612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.845

Distribution Coefficient, logD

0.550

Water Solubility, LogSw

-1.51

Polar Surface Area

53.196

Acid Dissociation Constant (pKa)

14.26

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.71

S959-1496 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Ion Channels Focused Library (26372 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S959-1496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S959-1496?
Check Price and Availability of S959-1496, 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 S959-1496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S959-1496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S959-1496
  • 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 S959-1496 available by request