S632-4905 Screening compound: 4-[1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-yl]-1-methanesulfonylpiperidine

S632-4905 Screening compound: 4-[1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-yl]-1-methanesulfonylpiperidine
S632-4905 Screening compound: 4-[1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-yl]-1-methanesulfonylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S632-4905
4-[1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-yl]-1-methanesulfonylpiperidine

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

S632-4905

Molecular Formula

C17H22ClFN2O3S (C17 H22 ClFN2 O3 S)

Compound Name

4-[1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-yl]-1-methanesulfonylpiperidine

IUPAC name

4-[1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-yl]-1-methanesulfonylpiperidine

SMILES

CS(N(CC1)CCC1C(CC1)CN1C(c(c(F)ccc1)c1Cl)=O)(=O)=O

InChI

InChI=1S/C17H22ClFN2O3S/c1-25(23,24)21-9-6-12(7-10-21)13-5-8-20(11-13)17(22)16-14(18)3-2-4-15(16)19/h2-4,12-13H,5-11H2,1H3/t13-/m1/s1

InChI Key

MUVYCXMWLPVHEK-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD29012987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.293

Distribution Coefficient, logD

2.293

Water Solubility, LogSw

-3.22

Polar Surface Area

48.390

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

-4.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

S632-4905 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S632-4905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S632-4905?
Check Price and Availability of S632-4905, 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 S632-4905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S632-4905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S632-4905
  • 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 S632-4905 available by request