S632-4100 Screening compound: 3-(1-acetylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide

S632-4100 Screening compound: 3-(1-acetylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide
S632-4100 Screening compound: 3-(1-acetylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S632-4100
3-(1-acetylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]pyrrolidine-1-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

S632-4100

Molecular Formula

C20H29N3O2 (C20 H29 N3 O2)

Compound Name

3-(1-acetylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide

IUPAC name

3-(1-acetylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide

SMILES

CC(N(CC1)CCC1C(CC1)CN1C(NCc1ccc(C)cc1)=O)=O

InChI

InChI=1S/C20H29N3O2/c1-15-3-5-17(6-4-15)13-21-20(25)23-12-9-19(14-23)18-7-10-22(11-8-18)16(2)24/h3-6,18-19H,7-14H2,1-2H3,(H,21,25)/t19-/m1/s1

InChI Key

PULHFRJEPLDWSO-LJQANCHMSA-N

MDL Number (MFCD)

MFCD29012813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.346

Distribution Coefficient, logD

2.346

Water Solubility, LogSw

-2.69

Polar Surface Area

44.445

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

S632-4100 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with S632-4100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S632-4100?
Check Price and Availability of S632-4100, 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 S632-4100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S632-4100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S632-4100
  • 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 S632-4100 available by request