S632-4391 Screening compound: 4-{1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]tetrahydro-1H-pyrrol-3-yl}-N-methyltetrahydro-1(2H)-pyridinecarboxamide

S632-4391 Screening compound: 4-{1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]tetrahydro-1H-pyrrol-3-yl}-N-methyltetrahydro-1(2H)-pyridinecarboxamide
S632-4391 Screening compound: 4-{1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]tetrahydro-1H-pyrrol-3-yl}-N-methyltetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S632-4391
4-{1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]tetrahydro-1H-pyrrol-3-yl}-N-methyltetrahydro-1(2H)-pyridinecarboxamide

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

S632-4391

Molecular Formula

C17H26N4O3 (C17 H26 N4 O3)

Compound Name

4-{1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]tetrahydro-1H-pyrrol-3-yl}-N-methyltetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

4-[1-(35-dimethyl-12-oxazole-4-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

SMILES

Cc1noc(C)c1C(N(CC1)CC1C(CC1)CCN1C(NC)=O)=O

InChI

InChI=1S/C17H26N4O3/c1-11-15(12(2)24-19-11)16(22)21-9-6-14(10-21)13-4-7-20(8-5-13)17(23)18-3/h13-14H,4-10H2,1-3H3,(H,18,23)/t14-/m0/s1

InChI Key

VCHGBQZETLQWTF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29012913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.943

Distribution Coefficient, logD

0.943

Water Solubility, LogSw

-1.69

Polar Surface Area

66.166

Acid Dissociation Constant (pKa)

16.65

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.60

S632-4391 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 S632-4391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S632-4391?
Check Price and Availability of S632-4391, 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 S632-4391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S632-4391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S632-4391
  • 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 S632-4391 available by request