S632-4453 Screening compound: 4-{1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl}-N-methylpiperidine-1-carboxamide

S632-4453 Screening compound: 4-{1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl}-N-methylpiperidine-1-carboxamide
S632-4453 Screening compound: 4-{1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl}-N-methylpiperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S632-4453
4-{1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl}-N-methylpiperidine-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

S632-4453

Molecular Formula

C16H24BrN3O2 (C16 H24 BrN3 O2)

Compound Name

4-{1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl}-N-methylpiperidine-1-carboxamide

IUPAC name

4-{1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl}-N-methylpiperidine-1-carboxamide

SMILES

CNC(N(CC1)CCC1C1CN(Cc(o2)ccc2Br)CC1)=O

InChI

InChI=1S/C16H24BrN3O2/c1-18-16(21)20-8-5-12(6-9-20)13-4-7-19(10-13)11-14-2-3-15(17)22-14/h2-3,12-13H,4-11H2,1H3,(H,18,21)/t13-/m1/s1

InChI Key

CSAADYQLXSEHMP-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD29012860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.290

Distribution Coefficient, logD

2.073

Water Solubility, LogSw

-2.64

Polar Surface Area

39.308

Acid Dissociation Constant (pKa)

16.65

Base Dissociation Constant (pKb)

7.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.80

S632-4453 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S632-4453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S632-4453?
Check Price and Availability of S632-4453, 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 S632-4453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S632-4453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S632-4453
  • 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 S632-4453 available by request