S959-1550 Screening compound: N-{2-[3-(azepan-1-yl)-2-oxopyrrolidin-1-yl]ethyl}-2-(2-methyl-1H-imidazol-1-yl)acetamide

S959-1550 Screening compound: N-{2-[3-(azepan-1-yl)-2-oxopyrrolidin-1-yl]ethyl}-2-(2-methyl-1H-imidazol-1-yl)acetamide
S959-1550 Screening compound: N-{2-[3-(azepan-1-yl)-2-oxopyrrolidin-1-yl]ethyl}-2-(2-methyl-1H-imidazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S959-1550
N-{2-[3-(azepan-1-yl)-2-oxopyrrolidin-1-yl]ethyl}-2-(2-methyl-1H-imidazol-1-yl)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

S959-1550

Molecular Formula

C18H29N5O2 (C18 H29 N5 O2)

Compound Name

N-{2-[3-(azepan-1-yl)-2-oxopyrrolidin-1-yl]ethyl}-2-(2-methyl-1H-imidazol-1-yl)acetamide

IUPAC name

N-{2-[3-(azepan-1-yl)-2-oxopyrrolidin-1-yl]ethyl}-2-(2-methyl-1H-imidazol-1-yl)acetamide

SMILES

Cc1nccn1CC(NCCN(CCC1N2CCCCCC2)C1=O)=O

InChI

InChI=1S/C18H29N5O2/c1-15-19-7-13-23(15)14-17(24)20-8-12-22-11-6-16(18(22)25)21-9-4-2-3-5-10-21/h7,13,16H,2-6,8-12,14H2,1H3,(H,20,24)/t16-/m0/s1

InChI Key

NKMBKYXPRKGJSB-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32231670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.260

Distribution Coefficient, logD

-0.693

Water Solubility, LogSw

-1.29

Polar Surface Area

56.962

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

7.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.22

S959-1550 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Soluble Diversity Library (15920 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S959-1550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S959-1550?
Check Price and Availability of S959-1550, 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 S959-1550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S959-1550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S959-1550
  • 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 S959-1550 available by request