L948-3690 Screening compound: 4-{2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}-3-fluorobenzonitrile

L948-3690 Screening compound: 4-{2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}-3-fluorobenzonitrile
L948-3690 Screening compound: 4-{2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}-3-fluorobenzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound L948-3690
4-{2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}-3-fluorobenzonitrile

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

L948-3690

Molecular Formula

C20H13F3N4O2 (C20 H13 F3 N4 O2)

Compound Name

4-{2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}-3-fluorobenzonitrile

IUPAC name

4-{2-[3-(24-difluorophenyl)-124-oxadiazol-5-yl]pyrrolidine-1-carbonyl}-3-fluorobenzonitrile

SMILES

N#Cc(cc1)cc(F)c1C(N(CCC1)C1c1nc(-c(ccc(F)c2)c2F)no1)=O

InChI

InChI=1S/C20H13F3N4O2/c21-12-4-6-13(16(23)9-12)18-25-19(29-26-18)17-2-1-7-27(17)20(28)14-5-3-11(10-24)8-15(14)22/h3-6,8-9,17H,1-2,7H2/t17-/m0/s1

InChI Key

JFTDJXUCXXXMNE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27489212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.120

Distribution Coefficient, logD

4.120

Water Solubility, LogSw

-4.26

Polar Surface Area

65.409

Acid Dissociation Constant (pKa)

25.18

Base Dissociation Constant (pKb)

-7.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

L948-3690 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L948-3690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L948-3690?
Check Price and Availability of L948-3690, 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 L948-3690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L948-3690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L948-3690
  • 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 L948-3690 available by request