S836-6159 Screening compound: 1-[(5-chloro-2-fluorophenyl)methyl]-N-cyclopropyl-4-(methoxymethyl)pyrrolidine-3-carboxamide

S836-6159 Screening compound: 1-[(5-chloro-2-fluorophenyl)methyl]-N-cyclopropyl-4-(methoxymethyl)pyrrolidine-3-carboxamide
S836-6159 Screening compound: 1-[(5-chloro-2-fluorophenyl)methyl]-N-cyclopropyl-4-(methoxymethyl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S836-6159
1-[(5-chloro-2-fluorophenyl)methyl]-N-cyclopropyl-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

S836-6159

Molecular Formula

C17H22ClFN2O2 (C17 H22 ClFN2 O2)

Compound Name

1-[(5-chloro-2-fluorophenyl)methyl]-N-cyclopropyl-4-(methoxymethyl)pyrrolidine-3-carboxamide

IUPAC name

(3S4S)-1-[(5-chloro-2-fluorophenyl)methyl]-N-cyclopropyl-4-(methoxymethyl)pyrrolidine-3-carboxamide

SMILES

COC[C@@H](CN(Cc(cc(cc1)Cl)c1F)C1)[C@H]1C(NC1CC1)=O

InChI

InChI=1S/C17H22ClFN2O2/c1-23-10-12-8-21(7-11-6-13(18)2-5-16(11)19)9-15(12)17(22)20-14-3-4-14/h2,5-6,12,14-15H,3-4,7-10H2,1H3,(H,20,22)/t12-,15+/m0/s1

InChI Key

QIFDUHZKGUMDET-SWLSCSKDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.586

Distribution Coefficient, logD

0.820

Water Solubility, LogSw

-3.38

Polar Surface Area

37.097

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.82

S836-6159 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S836-6159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S836-6159?
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What is the minimum amount of S836-6159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S836-6159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S836-6159
  • 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 S836-6159 available by request