S963-3889 Screening compound: 4-acetamido-N-methyl-1-[2-(4-methylphenyl)acetyl]pyrrolidine-3-carboxamide

S963-3889 Screening compound: 4-acetamido-N-methyl-1-[2-(4-methylphenyl)acetyl]pyrrolidine-3-carboxamide
S963-3889 Screening compound: 4-acetamido-N-methyl-1-[2-(4-methylphenyl)acetyl]pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S963-3889
4-acetamido-N-methyl-1-[2-(4-methylphenyl)acetyl]pyrrolidine-3-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

S963-3889

Molecular Formula

C17H23N3O3 (C17 H23 N3 O3)

Compound Name

4-acetamido-N-methyl-1-[2-(4-methylphenyl)acetyl]pyrrolidine-3-carboxamide

IUPAC name

(3S4R)-4-acetamido-N-methyl-1-[2-(4-methylphenyl)acetyl]pyrrolidine-3-carboxamide

SMILES

CC(N[C@@H](CN(C1)C(Cc2ccc(C)cc2)=O)[C@H]1C(NC)=O)=O

InChI

InChI=1S/C17H23N3O3/c1-11-4-6-13(7-5-11)8-16(22)20-9-14(17(23)18-3)15(10-20)19-12(2)21/h4-7,14-15H,8-10H2,1-3H3,(H,18,23)(H,19,21)/t14-,15-/m0/s1

InChI Key

HXWVBSNLNLOBMS-GJZGRUSLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.012

Distribution Coefficient, logD

0.012

Water Solubility, LogSw

-1.84

Polar Surface Area

65.935

Acid Dissociation Constant (pKa)

14.36

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.06

S963-3889 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S963-3889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S963-3889?
Check Price and Availability of S963-3889, 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 S963-3889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S963-3889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S963-3889
  • 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 S963-3889 available by request