S959-1002 Screening compound: 2-(4-fluorophenyl)-N-{2-[3-(morpholin-4-yl)-2-oxopyrrolidin-1-yl]ethyl}acetamide

S959-1002 Screening compound: 2-(4-fluorophenyl)-N-{2-[3-(morpholin-4-yl)-2-oxopyrrolidin-1-yl]ethyl}acetamide
S959-1002 Screening compound: 2-(4-fluorophenyl)-N-{2-[3-(morpholin-4-yl)-2-oxopyrrolidin-1-yl]ethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S959-1002
2-(4-fluorophenyl)-N-{2-[3-(morpholin-4-yl)-2-oxopyrrolidin-1-yl]ethyl}acetamide

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

S959-1002

Molecular Formula

C18H24FN3O3 (C18 H24 FN3 O3)

Compound Name

2-(4-fluorophenyl)-N-{2-[3-(morpholin-4-yl)-2-oxopyrrolidin-1-yl]ethyl}acetamide

IUPAC name

2-(4-fluorophenyl)-N-{2-[3-(morpholin-4-yl)-2-oxopyrrolidin-1-yl]ethyl}acetamide

SMILES

O=C(Cc(cc1)ccc1F)NCCN(CCC1N2CCOCC2)C1=O

InChI

InChI=1S/C18H24FN3O3/c19-15-3-1-14(2-4-15)13-17(23)20-6-8-22-7-5-16(18(22)24)21-9-11-25-12-10-21/h1-4,16H,5-13H2,(H,20,23)/t16-/m1/s1

InChI Key

BBHWHYSZOSFVLG-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32231336

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

349.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.051

Distribution Coefficient, logD

-0.053

Water Solubility, LogSw

-1.65

Polar Surface Area

51.982

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

S959-1002 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S959-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S959-1002?
Check Price and Availability of S959-1002, 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 S959-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S959-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S959-1002
  • 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 S959-1002 available by request