S632-3988 Screening compound: 1-(4-{1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl}piperidin-1-yl)ethan-1-one

S632-3988 Screening compound: 1-(4-{1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl}piperidin-1-yl)ethan-1-one
S632-3988 Screening compound: 1-(4-{1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl}piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S632-3988
1-(4-{1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl}piperidin-1-yl)ethan-1-one

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

S632-3988

Molecular Formula

C18H24ClFN2O (C18 H24 ClFN2 O)

Compound Name

1-(4-{1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl}piperidin-1-yl)ethan-1-one

IUPAC name

1-(4-{1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl}piperidin-1-yl)ethan-1-one

SMILES

CC(N(CC1)CCC1C1CN(Cc(ccc(F)c2)c2Cl)CC1)=O

InChI

InChI=1S/C18H24ClFN2O/c1-13(23)22-8-5-14(6-9-22)15-4-7-21(11-15)12-16-2-3-17(20)10-18(16)19/h2-3,10,14-15H,4-9,11-12H2,1H3/t15-/m1/s1

InChI Key

OJOUWIQOPXJXGT-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD29012801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.238

Distribution Coefficient, logD

3.012

Water Solubility, LogSw

-3.36

Polar Surface Area

21.387

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

7.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

S632-3988 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S632-3988 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S632-3988?
Check Price and Availability of S632-3988, 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 S632-3988 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S632-3988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S632-3988
  • 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 S632-3988 available by request