S713-0187 Screening compound: 4-[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]-1-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidine

S713-0187 Screening compound: 4-[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]-1-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
S713-0187 Screening compound: 4-[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]-1-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S713-0187
4-[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]-1-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidine

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

S713-0187

Molecular Formula

C19H20N6O2S (C19 H20 N6 O2 S)

Compound Name

4-[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]-1-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidine

IUPAC name

4-[3-(1-methyl-1H-pyrrol-2-yl)-124-oxadiazol-5-yl]-1-{[3-(thiophen-2-yl)-124-oxadiazol-5-yl]methyl}piperidine

SMILES

Cn1c(-c2noc(C3CCN(Cc4nc(-c5cccs5)no4)CC3)n2)ccc1

InChI

InChI=1S/C19H20N6O2S/c1-24-8-2-4-14(24)17-21-19(27-22-17)13-6-9-25(10-7-13)12-16-20-18(23-26-16)15-5-3-11-28-15/h2-5,8,11,13H,6-7,9-10,12H2,1H3

InChI Key

NADORPNQPNSNST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32226454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.314

Distribution Coefficient, logD

4.310

Water Solubility, LogSw

-4.08

Polar Surface Area

70.155

Acid Dissociation Constant (pKa)

26.27

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.84

S713-0187 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with S713-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S713-0187?
Check Price and Availability of S713-0187, 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 S713-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S713-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S713-0187
  • 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 S713-0187 available by request