S632-4429 Screening compound: 4-{1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl}-N-methylpiperidine-1-carboxamide

S632-4429 Screening compound: 4-{1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl}-N-methylpiperidine-1-carboxamide
S632-4429 Screening compound: 4-{1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl}-N-methylpiperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S632-4429
4-{1-[(3,4-difluorophenyl)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

S632-4429

Molecular Formula

C18H25F2N3O (C18 H25 F2 N3 O)

Compound Name

4-{1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl}-N-methylpiperidine-1-carboxamide

IUPAC name

4-{1-[(34-difluorophenyl)methyl]pyrrolidin-3-yl}-N-methylpiperidine-1-carboxamide

SMILES

CNC(N(CC1)CCC1C1CN(Cc(cc2)cc(F)c2F)CC1)=O

InChI

InChI=1S/C18H25F2N3O/c1-21-18(24)23-8-5-14(6-9-23)15-4-7-22(12-15)11-13-2-3-16(19)17(20)10-13/h2-3,10,14-15H,4-9,11-12H2,1H3,(H,21,24)/t15-/m1/s1

InChI Key

UZPXOOLHFPXFHZ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD29012858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.481

Distribution Coefficient, logD

2.112

Water Solubility, LogSw

-2.74

Polar Surface Area

31.212

Acid Dissociation Constant (pKa)

16.65

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

S632-4429 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S632-4429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S632-4429?
Check Price and Availability of S632-4429, 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 S632-4429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S632-4429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S632-4429
  • 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 S632-4429 available by request