S959-2398 Screening compound: 3-chloro-N-[2-(3-acetamido-2-oxopyrrolidin-1-yl)ethyl]-4-fluorobenzamide

S959-2398 Screening compound: 3-chloro-N-[2-(3-acetamido-2-oxopyrrolidin-1-yl)ethyl]-4-fluorobenzamide
S959-2398 Screening compound: 3-chloro-N-[2-(3-acetamido-2-oxopyrrolidin-1-yl)ethyl]-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S959-2398
3-chloro-N-[2-(3-acetamido-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

S959-2398

Molecular Formula

C15H17ClFN3O3 (C15 H17 ClFN3 O3)

Compound Name

3-chloro-N-[2-(3-acetamido-2-oxopyrrolidin-1-yl)ethyl]-4-fluorobenzamide

IUPAC name

3-chloro-N-[2-(3-acetamido-2-oxopyrrolidin-1-yl)ethyl]-4-fluorobenzamide

SMILES

CC(NC(CCN1CCNC(c(cc2)cc(Cl)c2F)=O)C1=O)=O

InChI

InChI=1S/C15H17ClFN3O3/c1-9(21)19-13-4-6-20(15(13)23)7-5-18-14(22)10-2-3-12(17)11(16)8-10/h2-3,8,13H,4-7H2,1H3,(H,18,22)(H,19,21)/t13-/m1/s1

InChI Key

CXMVUGWXOUANEH-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD32231740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.133

Distribution Coefficient, logD

0.133

Water Solubility, LogSw

-2.68

Polar Surface Area

66.235

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

S959-2398 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Soluble Diversity Library (15920 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S959-2398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S959-2398?
Check Price and Availability of S959-2398, 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 S959-2398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S959-2398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S959-2398
  • 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 S959-2398 available by request