S632-1396 Screening compound: {(3S,4S)-4-[1-(4-chloro-3-fluorobenzyl)-4-piperidyl]tetrahydro-1H-pyrrol-3-yl}methanol

S632-1396 Screening compound: {(3S,4S)-4-[1-(4-chloro-3-fluorobenzyl)-4-piperidyl]tetrahydro-1H-pyrrol-3-yl}methanol
S632-1396 Screening compound: {(3S,4S)-4-[1-(4-chloro-3-fluorobenzyl)-4-piperidyl]tetrahydro-1H-pyrrol-3-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S632-1396
{(3S,4S)-4-[1-(4-chloro-3-fluorobenzyl)-4-piperidyl]tetrahydro-1H-pyrrol-3-yl}methanol

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

S632-1396

Molecular Formula

C17H24ClFN2O (C17 H24 ClFN2 O)

Compound Name

{(3S,4S)-4-[1-(4-chloro-3-fluorobenzyl)-4-piperidyl]tetrahydro-1H-pyrrol-3-yl}methanol

IUPAC name

n/a

SMILES

OC[C@@H](CNC1)[C@H]1C1CCN(Cc(cc2)cc(F)c2Cl)CC1

InChI

InChI=1S/C17H24ClFN2O/c18-16-2-1-12(7-17(16)19)10-21-5-3-13(4-6-21)15-9-20-8-14(15)11-22/h1-2,7,13-15,20,22H,3-6,8-11H2/t14-,15-/m1/s1

InChI Key

NJXJPBKGABJUIS-HUUCEWRRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

326.84

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.219

Distribution Coefficient, logD

-1.123

Water Solubility, LogSw

-2.75

Polar Surface Area

33.196

Acid Dissociation Constant (pKa)

15.98

Base Dissociation Constant (pKb)

10.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

64.70

References: we are preparing a list of scientific research reports with S632-1396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S632-1396?
Check Price and Availability of S632-1396, 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 S632-1396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S632-1396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S632-1396
  • 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 S632-1396 available by request