S632-2424 Screening compound: 1-(4-{(3S,4S)-4-(hydroxymethyl)-1-[2-(trifluoromethyl)benzyl]tetrahydro-1H-pyrrol-3-yl}piperidino)-1-ethanone

S632-2424 Screening compound: 1-(4-{(3S,4S)-4-(hydroxymethyl)-1-[2-(trifluoromethyl)benzyl]tetrahydro-1H-pyrrol-3-yl}piperidino)-1-ethanone
S632-2424 Screening compound: 1-(4-{(3S,4S)-4-(hydroxymethyl)-1-[2-(trifluoromethyl)benzyl]tetrahydro-1H-pyrrol-3-yl}piperidino)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S632-2424
1-(4-{(3S,4S)-4-(hydroxymethyl)-1-[2-(trifluoromethyl)benzyl]tetrahydro-1H-pyrrol-3-yl}piperidino)-1-ethanone

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

S632-2424

Molecular Formula

C20H27F3N2O2 (C20 H27 F3 N2 O2)

Compound Name

1-(4-{(3S,4S)-4-(hydroxymethyl)-1-[2-(trifluoromethyl)benzyl]tetrahydro-1H-pyrrol-3-yl}piperidino)-1-ethanone

IUPAC name

n/a

SMILES

CC(N(CC1)CCC1[C@@H]1[C@@H](CO)CN(Cc2c(C(F)(F)F)cccc2)C1)=O

InChI

InChI=1S/C20H27F3N2O2/c1-14(27)25-8-6-15(7-9-25)18-12-24(11-17(18)13-26)10-16-4-2-3-5-19(16)20(21,22)23/h2-5,15,17-18,26H,6-13H2,1H3/t17-,18-/m0/s1

InChI Key

XARJOXDVXMRZAG-ROUUACIJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.664

Distribution Coefficient, logD

2.059

Water Solubility, LogSw

-2.91

Polar Surface Area

38.435

Acid Dissociation Constant (pKa)

15.98

Base Dissociation Constant (pKb)

7.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.00

S632-2424 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S632-2424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S632-2424?
Check Price and Availability of S632-2424, 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 S632-2424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S632-2424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S632-2424
  • 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 S632-2424 available by request