S639-0055 Screening compound: 5-chloro-N-{4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl}-2-fluorobenzamide

S639-0055 Screening compound: 5-chloro-N-{4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl}-2-fluorobenzamide
S639-0055 Screening compound: 5-chloro-N-{4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl}-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S639-0055
5-chloro-N-{4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl}-2-fluorobenzamide

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

S639-0055

Molecular Formula

C15H21ClFN3O (C15 H21 ClFN3 O)

Compound Name

5-chloro-N-{4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl}-2-fluorobenzamide

IUPAC name

5-chloro-N-[(3S4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-fluorobenzamide

SMILES

CN(C)C[C@@H](CN(C)C1)[C@H]1NC(c(cc(cc1)Cl)c1F)=O

InChI

InChI=1S/C15H21ClFN3O/c1-19(2)7-10-8-20(3)9-14(10)18-15(21)12-6-11(16)4-5-13(12)17/h4-6,10,14H,7-9H2,1-3H3,(H,18,21)/t10-,14-/m0/s1

InChI Key

OPBGUUQLTUQQPZ-HZMBPMFUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.8

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.888

Distribution Coefficient, logD

-0.258

Water Solubility, LogSw

-3.18

Polar Surface Area

32.364

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

9.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.30

S639-0055 in Drug Discovery

Included in Screening Libraries

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

Antiviral Library (67538 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:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with S639-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S639-0055?
Check Price and Availability of S639-0055, 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 S639-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S639-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S639-0055
  • 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 S639-0055 available by request