D398-1028 Screening compound: 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(thiophen-2-yl)ethan-1-one

D398-1028 Screening compound: 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(thiophen-2-yl)ethan-1-one
D398-1028 Screening compound: 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(thiophen-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-1028
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(thiophen-2-yl)ethan-1-one

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

D398-1028

Molecular Formula

C16H16FNOS (C16 H16 FNOS)

Compound Name

1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(thiophen-2-yl)ethan-1-one

IUPAC name

1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(thiophen-2-yl)ethan-1-one

SMILES

O=C(Cc1cccs1)N(CCC1)C1c1cc(F)ccc1

InChI

InChI=1S/C16H16FNOS/c17-13-5-1-4-12(10-13)15-7-2-8-18(15)16(19)11-14-6-3-9-20-14/h1,3-6,9-10,15H,2,7-8,11H2/t15-/m0/s1

InChI Key

PEGPMWRNECFULF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14826458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.020

Distribution Coefficient, logD

3.020

Water Solubility, LogSw

-3.15

Polar Surface Area

17.166

Acid Dissociation Constant (pKa)

22.63

Base Dissociation Constant (pKb)

-4.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

D398-1028 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic

References: we are preparing a list of scientific research reports with D398-1028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-1028?
Check Price and Availability of D398-1028, 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 D398-1028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-1028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-1028
  • 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 D398-1028 available by request