S334-0195 Screening compound: N-(2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}ethyl)-3,4-dimethylbenzamide

S334-0195 Screening compound: N-(2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}ethyl)-3,4-dimethylbenzamide
S334-0195 Screening compound: N-(2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}ethyl)-3,4-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S334-0195
N-(2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}ethyl)-3,4-dimethylbenzamide

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

S334-0195

Molecular Formula

C24H22N4O4 (C24 H22 N4 O4)

Compound Name

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

IUPAC name

N-(2-{2-[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]-1H-pyrrol-1-yl}ethyl)-34-dimethylbenzamide

SMILES

Cc(cc1)c(C)cc1C(NCCn1c(-c2nc(-c(cc3)cc4c3OCO4)no2)ccc1)=O

InChI

InChI=1S/C24H22N4O4/c1-15-5-6-18(12-16(15)2)23(29)25-9-11-28-10-3-4-19(28)24-26-22(27-32-24)17-7-8-20-21(13-17)31-14-30-20/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,25,29)

InChI Key

YVKVHCFLTQDFMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.085

Distribution Coefficient, logD

5.085

Water Solubility, LogSw

-4.86

Polar Surface Area

74.854

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

S334-0195 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S334-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S334-0195?
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What is the minimum amount of S334-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S334-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S334-0195
  • 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 S334-0195 available by request