L948-3603 Screening compound: 1-{2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(thiophen-2-yl)ethan-1-one

L948-3603 Screening compound: 1-{2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(thiophen-2-yl)ethan-1-one
L948-3603 Screening compound: 1-{2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(thiophen-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L948-3603
1-{2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]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

L948-3603

Molecular Formula

C18H15F2N3O2S (C18 H15 F2 N3 O2 S)

Compound Name

1-{2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(thiophen-2-yl)ethan-1-one

IUPAC name

1-{2-[3-(24-difluorophenyl)-124-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(thiophen-2-yl)ethan-1-one

SMILES

O=C(Cc1cccs1)N(CCC1)C1c1nc(-c(ccc(F)c2)c2F)no1

InChI

InChI=1S/C18H15F2N3O2S/c19-11-5-6-13(14(20)9-11)17-21-18(25-22-17)15-4-1-7-23(15)16(24)10-12-3-2-8-26-12/h2-3,5-6,8-9,15H,1,4,7,10H2/t15-/m0/s1

InChI Key

WBXCIFBSZVHCOI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27489201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.687

Distribution Coefficient, logD

3.687

Water Solubility, LogSw

-3.96

Polar Surface Area

48.843

Acid Dissociation Constant (pKa)

22.63

Base Dissociation Constant (pKb)

-5.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

L948-3603 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L948-3603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L948-3603?
Check Price and Availability of L948-3603, 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 L948-3603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L948-3603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L948-3603
  • 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 L948-3603 available by request