S334-0164 Screening compound: N-(2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}ethyl)-2H-1,3-benzodioxole-5-carboxamide

S334-0164 Screening compound: N-(2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}ethyl)-2H-1,3-benzodioxole-5-carboxamide
S334-0164 Screening compound: N-(2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}ethyl)-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S334-0164
N-(2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}ethyl)-2H-1,3-benzodioxole-5-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

S334-0164

Molecular Formula

C23H18N4O6 (C23 H18 N4 O6)

Compound Name

N-(2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}ethyl)-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-(2-{2-[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]-1H-pyrrol-1-yl}ethyl)-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)NCCn1c(-c2nc(-c(cc3)cc4c3OCO4)no2)ccc1

InChI

InChI=1S/C23H18N4O6/c28-22(15-4-6-18-20(11-15)32-13-30-18)24-7-9-27-8-1-2-16(27)23-25-21(26-33-23)14-3-5-17-19(10-14)31-12-29-17/h1-6,8,10-11H,7,9,12-13H2,(H,24,28)

InChI Key

BSPHQUPKVFXHLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.022

Distribution Coefficient, logD

4.022

Water Solubility, LogSw

-4.20

Polar Surface Area

91.969

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

S334-0164 in Drug Discovery

Included in Screening Libraries

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 S334-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S334-0164?
Check Price and Availability of S334-0164, 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 S334-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S334-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S334-0164
  • 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 S334-0164 available by request