S240-1055 Screening compound: N-{1-[(3-cyanophenyl)methyl]-5-(hydroxymethyl)pyrrolidin-3-yl}-2-methoxyacetamide

S240-1055 Screening compound: N-{1-[(3-cyanophenyl)methyl]-5-(hydroxymethyl)pyrrolidin-3-yl}-2-methoxyacetamide
S240-1055 Screening compound: N-{1-[(3-cyanophenyl)methyl]-5-(hydroxymethyl)pyrrolidin-3-yl}-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S240-1055
N-{1-[(3-cyanophenyl)methyl]-5-(hydroxymethyl)pyrrolidin-3-yl}-2-methoxyacetamide

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

S240-1055

Molecular Formula

C16H21N3O3 (C16 H21 N3 O3)

Compound Name

N-{1-[(3-cyanophenyl)methyl]-5-(hydroxymethyl)pyrrolidin-3-yl}-2-methoxyacetamide

IUPAC name

N-[(3S5S)-1-[(3-cyanophenyl)methyl]-5-(hydroxymethyl)pyrrolidin-3-yl]-2-methoxyacetamide

SMILES

COCC(N[C@@H]1CN(Cc2cc(C#N)ccc2)[C@H](CO)C1)=O

InChI

InChI=1S/C16H21N3O3/c1-22-11-16(21)18-14-6-15(10-20)19(9-14)8-13-4-2-3-12(5-13)7-17/h2-5,14-15,20H,6,8-11H2,1H3,(H,18,21)/t14-,15+/m0/s1

InChI Key

ASPQQJOFPMJWOL-LSDHHAIUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.096

Distribution Coefficient, logD

-0.133

Water Solubility, LogSw

-1.84

Polar Surface Area

70.682

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S240-1055 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with S240-1055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S240-1055?
Check Price and Availability of S240-1055, 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 S240-1055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S240-1055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S240-1055
  • 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 S240-1055 available by request