S510-1132 Screening compound: 1-(4-benzylpiperazin-1-yl)-3-[3-(1-methanesulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one

S510-1132 Screening compound: 1-(4-benzylpiperazin-1-yl)-3-[3-(1-methanesulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
S510-1132 Screening compound: 1-(4-benzylpiperazin-1-yl)-3-[3-(1-methanesulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S510-1132
1-(4-benzylpiperazin-1-yl)-3-[3-(1-methanesulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-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

S510-1132

Molecular Formula

C21H29N5O4S (C21 H29 N5 O4 S)

Compound Name

1-(4-benzylpiperazin-1-yl)-3-[3-(1-methanesulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one

IUPAC name

1-(4-benzylpiperazin-1-yl)-3-[3-(1-methanesulfonylpyrrolidin-2-yl)-124-oxadiazol-5-yl]propan-1-one

SMILES

CS(N(CCC1)C1c1noc(CCC(N2CCN(Cc3ccccc3)CC2)=O)n1)(=O)=O

InChI

InChI=1S/C21H29N5O4S/c1-31(28,29)26-11-5-8-18(26)21-22-19(30-23-21)9-10-20(27)25-14-12-24(13-15-25)16-17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-16H2,1H3/t18-/m0/s1

InChI Key

XGVASDLTVQPNRJ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31992649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.998

Distribution Coefficient, logD

0.965

Water Solubility, LogSw

-2.15

Polar Surface Area

83.555

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

S510-1132 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S510-1132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S510-1132?
Check Price and Availability of S510-1132, 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 S510-1132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S510-1132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S510-1132
  • 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 S510-1132 available by request