S713-0017 Screening compound: 3-(1H-1,3-benzodiazol-1-yl)-1-{4-[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propan-1-one

S713-0017 Screening compound: 3-(1H-1,3-benzodiazol-1-yl)-1-{4-[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propan-1-one
S713-0017 Screening compound: 3-(1H-1,3-benzodiazol-1-yl)-1-{4-[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S713-0017
3-(1H-1,3-benzodiazol-1-yl)-1-{4-[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-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

S713-0017

Molecular Formula

C22H24N6O2 (C22 H24 N6 O2)

Compound Name

3-(1H-1,3-benzodiazol-1-yl)-1-{4-[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propan-1-one

IUPAC name

3-(1H-13-benzodiazol-1-yl)-1-{4-[3-(1-methyl-1H-pyrrol-2-yl)-124-oxadiazol-5-yl]piperidin-1-yl}propan-1-one

SMILES

Cn1c(-c2noc(C(CC3)CCN3C(CCn3c(cccc4)c4nc3)=O)n2)ccc1

InChI

InChI=1S/C22H24N6O2/c1-26-11-4-7-19(26)21-24-22(30-25-21)16-8-12-27(13-9-16)20(29)10-14-28-15-23-17-5-2-3-6-18(17)28/h2-7,11,15-16H,8-10,12-14H2,1H3

InChI Key

JBLCJTNFHBCGME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31997248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.129

Distribution Coefficient, logD

3.128

Water Solubility, LogSw

-2.96

Polar Surface Area

60.617

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

S713-0017 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S713-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S713-0017?
Check Price and Availability of S713-0017, 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 S713-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S713-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S713-0017
  • 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 S713-0017 available by request