S334-0149 Screening compound: N-(2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}ethyl)-3-chlorobenzamide

S334-0149 Screening compound: N-(2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}ethyl)-3-chlorobenzamide
S334-0149 Screening compound: N-(2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}ethyl)-3-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S334-0149
N-(2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}ethyl)-3-chlorobenzamide

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

S334-0149

Molecular Formula

C22H17ClN4O4 (C22 H17 ClN4 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-chlorobenzamide

IUPAC name

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

SMILES

O=C(c1cccc(Cl)c1)NCCn1c(-c2nc(-c(cc3)cc4c3OCO4)no2)ccc1

InChI

InChI=1S/C22H17ClN4O4/c23-16-4-1-3-15(11-16)21(28)24-8-10-27-9-2-5-17(27)22-25-20(26-31-22)14-6-7-18-19(12-14)30-13-29-18/h1-7,9,11-12H,8,10,13H2,(H,24,28)

InChI Key

CNSCNSUBNYTWEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.85

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

4.762

Distribution Coefficient, logD

4.762

Water Solubility, LogSw

-4.98

Polar Surface Area

74.854

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with S334-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S334-0149?
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What is the minimum amount of S334-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S334-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S334-0149
  • 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 S334-0149 available by request