L957-0129 Screening compound: 1-(pyridin-2-yl)-4-{5-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3,4-oxadiazole-2-carbonyl}piperazine

L957-0129 Screening compound: 1-(pyridin-2-yl)-4-{5-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3,4-oxadiazole-2-carbonyl}piperazine
L957-0129 Screening compound: 1-(pyridin-2-yl)-4-{5-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3,4-oxadiazole-2-carbonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound L957-0129
1-(pyridin-2-yl)-4-{5-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3,4-oxadiazole-2-carbonyl}piperazine

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

L957-0129

Molecular Formula

C22H24N6O4S (C22 H24 N6 O4 S)

Compound Name

1-(pyridin-2-yl)-4-{5-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3,4-oxadiazole-2-carbonyl}piperazine

IUPAC name

1-(pyridin-2-yl)-4-{5-[4-(pyrrolidine-1-sulfonyl)phenyl]-134-oxadiazole-2-carbonyl}piperazine

SMILES

O=C(c1nnc(-c(cc2)ccc2S(N2CCCC2)(=O)=O)o1)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C22H24N6O4S/c29-22(27-15-13-26(14-16-27)19-5-1-2-10-23-19)21-25-24-20(32-21)17-6-8-18(9-7-17)33(30,31)28-11-3-4-12-28/h1-2,5-10H,3-4,11-16H2

InChI Key

YOUBNYQQPQRXNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27489587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.124

Distribution Coefficient, logD

2.116

Water Solubility, LogSw

-2.50

Polar Surface Area

91.251

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

L957-0129 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L957-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L957-0129?
Check Price and Availability of L957-0129, 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 L957-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L957-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L957-0129
  • 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 L957-0129 available by request