L948-2221 Screening compound: 2-chloro-5-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidine-1-carbonyl)pyridine

L948-2221 Screening compound: 2-chloro-5-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidine-1-carbonyl)pyridine
L948-2221 Screening compound: 2-chloro-5-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidine-1-carbonyl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound L948-2221
2-chloro-5-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidine-1-carbonyl)pyridine

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

L948-2221

Molecular Formula

C19H14ClF3N4O2 (C19 H14 ClF3 N4 O2)

Compound Name

2-chloro-5-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidine-1-carbonyl)pyridine

IUPAC name

2-chloro-5-(2-{3-[3-(trifluoromethyl)phenyl]-124-oxadiazol-5-yl}pyrrolidine-1-carbonyl)pyridine

SMILES

O=C(c(cc1)cnc1Cl)N(CCC1)C1c1nc(-c2cc(C(F)(F)F)ccc2)no1

InChI

InChI=1S/C19H14ClF3N4O2/c20-15-7-6-12(10-24-15)18(28)27-8-2-5-14(27)17-25-16(26-29-17)11-3-1-4-13(9-11)19(21,22)23/h1,3-4,6-7,9-10,14H,2,5,8H2/t14-/m0/s1

InChI Key

NJGSAOSQLYLTNH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27489108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.79

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

4.296

Distribution Coefficient, logD

4.296

Water Solubility, LogSw

-4.62

Polar Surface Area

57.357

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

L948-2221 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with L948-2221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L948-2221?
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What is the minimum amount of L948-2221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L948-2221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L948-2221
  • 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 L948-2221 available by request