D398-1122 Screening compound: 2-(4-fluorophenyl)-1-(furan-2-carbonyl)pyrrolidine

D398-1122 Screening compound: 2-(4-fluorophenyl)-1-(furan-2-carbonyl)pyrrolidine
D398-1122 Screening compound: 2-(4-fluorophenyl)-1-(furan-2-carbonyl)pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-1122
2-(4-fluorophenyl)-1-(furan-2-carbonyl)pyrrolidine

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

D398-1122

Molecular Formula

C15H14FNO2 (C15 H14 FNO2)

Compound Name

2-(4-fluorophenyl)-1-(furan-2-carbonyl)pyrrolidine

IUPAC name

2-(4-fluorophenyl)-1-(furan-2-carbonyl)pyrrolidine

SMILES

O=C(c1ccco1)N(CCC1)C1c(cc1)ccc1F

InChI

InChI=1S/C15H14FNO2/c16-12-7-5-11(6-8-12)13-3-1-9-17(13)15(18)14-4-2-10-19-14/h2,4-8,10,13H,1,3,9H2/t13-/m0/s1

InChI Key

ZHYYOLPPANFOBE-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27583552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.515

Distribution Coefficient, logD

2.515

Water Solubility, LogSw

-2.42

Polar Surface Area

25.253

Acid Dissociation Constant (pKa)

24.14

Base Dissociation Constant (pKb)

-5.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.67

D398-1122 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with D398-1122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-1122?
Check Price and Availability of D398-1122, 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 D398-1122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-1122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-1122
  • 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 D398-1122 available by request