S240-1096 Screening compound: N-{(3S,5S)-5-(hydroxymethyl)-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-methoxyacetamide

S240-1096 Screening compound: N-{(3S,5S)-5-(hydroxymethyl)-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-methoxyacetamide
S240-1096 Screening compound: N-{(3S,5S)-5-(hydroxymethyl)-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S240-1096
N-{(3S,5S)-5-(hydroxymethyl)-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]tetrahydro-1H-pyrrol-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

S240-1096

Molecular Formula

C18H24N4O3 (C18 H24 N4 O3)

Compound Name

N-{(3S,5S)-5-(hydroxymethyl)-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-methoxyacetamide

IUPAC name

N-[(3S5S)-5-(hydroxymethyl)-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide

SMILES

COCC(N[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)[C@H](CO)C1)=O

InChI

InChI=1S/C18H24N4O3/c1-25-12-17(24)20-15-7-16(11-23)22(10-15)9-14-8-19-21-18(14)13-5-3-2-4-6-13/h2-6,8,15-16,23H,7,9-12H2,1H3,(H,19,21)(H,20,24)/t15-,16+/m0/s1

InChI Key

NVJJJOKFULGKCZ-JKSUJKDBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.334

Distribution Coefficient, logD

-1.398

Water Solubility, LogSw

-1.74

Polar Surface Area

77.816

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

9.12

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.44

S240-1096 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Natural-Product-Based Library (3730 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S240-1096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S240-1096?
Check Price and Availability of S240-1096, 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 S240-1096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S240-1096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S240-1096
  • 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 S240-1096 available by request