S713-3145 Screening compound: N-tert-butyl-4-[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

S713-3145 Screening compound: N-tert-butyl-4-[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
S713-3145 Screening compound: N-tert-butyl-4-[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S713-3145
N-tert-butyl-4-[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-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

S713-3145

Molecular Formula

C17H25N5O2 (C17 H25 N5 O2)

Compound Name

N-tert-butyl-4-[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

IUPAC name

N-tert-butyl-4-[3-(1-methyl-1H-pyrrol-2-yl)-124-oxadiazol-5-yl]piperidine-1-carboxamide

SMILES

CC(C)(C)NC(N(CC1)CCC1c1nc(-c2cccn2C)no1)=O

InChI

InChI=1S/C17H25N5O2/c1-17(2,3)19-16(23)22-10-7-12(8-11-22)15-18-14(20-24-15)13-6-5-9-21(13)4/h5-6,9,12H,7-8,10-11H2,1-4H3,(H,19,23)

InChI Key

JYUDEVRCAWCQFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31997368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.607

Distribution Coefficient, logD

3.607

Water Solubility, LogSw

-3.41

Polar Surface Area

59.948

Acid Dissociation Constant (pKa)

16.58

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.82

S713-3145 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS MPO Library (28609 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S713-3145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S713-3145?
Check Price and Availability of S713-3145, 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 S713-3145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S713-3145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S713-3145
  • 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 S713-3145 available by request