S959-0211 Screening compound: 2-chloro-N-{2-[3-(dimethylamino)-2-oxopyrrolidin-1-yl]ethyl}-4-fluorobenzamide

S959-0211 Screening compound: 2-chloro-N-{2-[3-(dimethylamino)-2-oxopyrrolidin-1-yl]ethyl}-4-fluorobenzamide
S959-0211 Screening compound: 2-chloro-N-{2-[3-(dimethylamino)-2-oxopyrrolidin-1-yl]ethyl}-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S959-0211
2-chloro-N-{2-[3-(dimethylamino)-2-oxopyrrolidin-1-yl]ethyl}-4-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

S959-0211

Molecular Formula

C15H19ClFN3O2 (C15 H19 ClFN3 O2)

Compound Name

2-chloro-N-{2-[3-(dimethylamino)-2-oxopyrrolidin-1-yl]ethyl}-4-fluorobenzamide

IUPAC name

2-chloro-N-{2-[3-(dimethylamino)-2-oxopyrrolidin-1-yl]ethyl}-4-fluorobenzamide

SMILES

CN(C)C(CCN1CCNC(c(ccc(F)c2)c2Cl)=O)C1=O

InChI

InChI=1S/C15H19ClFN3O2/c1-19(2)13-5-7-20(15(13)22)8-6-18-14(21)11-4-3-10(17)9-12(11)16/h3-4,9,13H,5-8H2,1-2H3,(H,18,21)/t13-/m1/s1

InChI Key

NQTLOGMHKCRXEB-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD32231037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.285

Distribution Coefficient, logD

1.061

Water Solubility, LogSw

-2.97

Polar Surface Area

43.639

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

7.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

S959-0211 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S959-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S959-0211?
Check Price and Availability of S959-0211, 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 S959-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S959-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S959-0211
  • 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 S959-0211 available by request