S959-0681 Screening compound: 2-chloro-6-fluoro-N-(2-{2'-oxo-[1,3'-bipyrrolidin]-1'-yl}ethyl)benzamide

S959-0681 Screening compound: 2-chloro-6-fluoro-N-(2-{2'-oxo-[1,3'-bipyrrolidin]-1'-yl}ethyl)benzamide
S959-0681 Screening compound: 2-chloro-6-fluoro-N-(2-{2'-oxo-[1,3'-bipyrrolidin]-1'-yl}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S959-0681
2-chloro-6-fluoro-N-(2-{2'-oxo-[1,3'-bipyrrolidin]-1'-yl}ethyl)benzamide

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

S959-0681

Molecular Formula

C17H21ClFN3O2 (C17 H21 ClFN3 O2)

Compound Name

2-chloro-6-fluoro-N-(2-{2'-oxo-[1,3'-bipyrrolidin]-1'-yl}ethyl)benzamide

IUPAC name

2-chloro-6-fluoro-N-(2-{2'-oxo-[13'-bipyrrolidin]-1'-yl}ethyl)benzamide

SMILES

O=C(c(c(F)ccc1)c1Cl)NCCN(CCC1N2CCCC2)C1=O

InChI

InChI=1S/C17H21ClFN3O2/c18-12-4-3-5-13(19)15(12)16(23)20-7-11-22-10-6-14(17(22)24)21-8-1-2-9-21/h3-5,14H,1-2,6-11H2,(H,20,23)/t14-/m1/s1

InChI Key

ODWTWJVBCMMYHM-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32231118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.82

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

1.207

Distribution Coefficient, logD

0.625

Water Solubility, LogSw

-2.75

Polar Surface Area

44.652

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.94

S959-0681 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S959-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S959-0681?
Check Price and Availability of S959-0681, 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 S959-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S959-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S959-0681
  • 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 S959-0681 available by request