S836-2642 Screening compound: 1-[(3-chloro-4-fluorophenyl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide

S836-2642 Screening compound: 1-[(3-chloro-4-fluorophenyl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide
S836-2642 Screening compound: 1-[(3-chloro-4-fluorophenyl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S836-2642
1-[(3-chloro-4-fluorophenyl)methyl]-4-(methoxymethyl)pyrrolidine-3-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

S836-2642

Molecular Formula

C14H18ClFN2O2 (C14 H18 ClFN2 O2)

Compound Name

1-[(3-chloro-4-fluorophenyl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide

IUPAC name

(3S4S)-1-[(3-chloro-4-fluorophenyl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide

SMILES

COC[C@@H](CN(Cc(cc1)cc(Cl)c1F)C1)[C@H]1C(N)=O

InChI

InChI=1S/C14H18ClFN2O2/c1-20-8-10-6-18(7-11(10)14(17)19)5-9-2-3-13(16)12(15)4-9/h2-4,10-11H,5-8H2,1H3,(H2,17,19)/t10-,11+/m0/s1

InChI Key

TVNNJJLPHPLFLO-WDEREUQCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.319

Distribution Coefficient, logD

-0.452

Water Solubility, LogSw

-2.69

Polar Surface Area

46.687

Acid Dissociation Constant (pKa)

14.10

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S836-2642 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with S836-2642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S836-2642?
Check Price and Availability of S836-2642, 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 S836-2642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S836-2642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S836-2642
  • 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 S836-2642 available by request