S959-0639 Screening compound: 2-fluoro-N-(2-{2'-oxo-[1,3'-bipyrrolidin]-1'-yl}ethyl)benzene-1-sulfonamide

S959-0639 Screening compound: 2-fluoro-N-(2-{2'-oxo-[1,3'-bipyrrolidin]-1'-yl}ethyl)benzene-1-sulfonamide
S959-0639 Screening compound: 2-fluoro-N-(2-{2'-oxo-[1,3'-bipyrrolidin]-1'-yl}ethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S959-0639
2-fluoro-N-(2-{2'-oxo-[1,3'-bipyrrolidin]-1'-yl}ethyl)benzene-1-sulfonamide

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

S959-0639

Molecular Formula

C16H22FN3O3S (C16 H22 FN3 O3 S)

Compound Name

2-fluoro-N-(2-{2'-oxo-[1,3'-bipyrrolidin]-1'-yl}ethyl)benzene-1-sulfonamide

IUPAC name

2-fluoro-N-(2-{2'-oxo-[13'-bipyrrolidin]-1'-yl}ethyl)benzene-1-sulfonamide

SMILES

O=C1N(CCNS(c(cccc2)c2F)(=O)=O)CCC1N1CCCC1

InChI

InChI=1S/C16H22FN3O3S/c17-13-5-1-2-6-15(13)24(22,23)18-8-12-20-11-7-14(16(20)21)19-9-3-4-10-19/h1-2,5-6,14,18H,3-4,7-12H2/t14-/m1/s1

InChI Key

MBDRCEYZBVUKCB-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32231114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.983

Distribution Coefficient, logD

0.401

Water Solubility, LogSw

-2.27

Polar Surface Area

61.997

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

S959-0639 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S959-0639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S959-0639?
Check Price and Availability of S959-0639, 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 S959-0639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S959-0639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S959-0639
  • 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 S959-0639 available by request