L957-0111 Screening compound: N-[(oxolan-2-yl)methyl]-5-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3,4-oxadiazole-2-carboxamide

L957-0111 Screening compound: N-[(oxolan-2-yl)methyl]-5-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
L957-0111 Screening compound: N-[(oxolan-2-yl)methyl]-5-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3,4-oxadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L957-0111
N-[(oxolan-2-yl)methyl]-5-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3,4-oxadiazole-2-carboxamide

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

L957-0111

Molecular Formula

C18H22N4O5S (C18 H22 N4 O5 S)

Compound Name

N-[(oxolan-2-yl)methyl]-5-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3,4-oxadiazole-2-carboxamide

IUPAC name

N-[(oxolan-2-yl)methyl]-5-[4-(pyrrolidine-1-sulfonyl)phenyl]-134-oxadiazole-2-carboxamide

SMILES

O=C(c1nnc(-c(cc2)ccc2S(N2CCCC2)(=O)=O)o1)NCC1OCCC1

InChI

InChI=1S/C18H22N4O5S/c23-16(19-12-14-4-3-11-26-14)18-21-20-17(27-18)13-5-7-15(8-6-13)28(24,25)22-9-1-2-10-22/h5-8,14H,1-4,9-12H2,(H,19,23)/t14-/m1/s1

InChI Key

LZOVORPFHJBHRQ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27489585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.785

Distribution Coefficient, logD

0.785

Water Solubility, LogSw

-2.37

Polar Surface Area

95.899

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

L957-0111 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L957-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L957-0111?
Check Price and Availability of L957-0111, 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 L957-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L957-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L957-0111
  • 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 L957-0111 available by request