S553-0091 Screening compound: 3-(3-chlorophenyl)-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole

S553-0091 Screening compound: 3-(3-chlorophenyl)-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
S553-0091 Screening compound: 3-(3-chlorophenyl)-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S553-0091
3-(3-chlorophenyl)-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole

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

S553-0091

Molecular Formula

C12H8ClN3O (C12 H8 ClN3 O)

Compound Name

3-(3-chlorophenyl)-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole

IUPAC name

3-(3-chlorophenyl)-5-(1H-pyrrol-2-yl)-124-oxadiazole

SMILES

Clc1cc(-c2noc(-c3ccc[nH]3)n2)ccc1

InChI

InChI=1S/C12H8ClN3O/c13-9-4-1-3-8(7-9)11-15-12(17-16-11)10-5-2-6-14-10/h1-7,14H

InChI Key

XDEPCBGJWQLGES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16874944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.67

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.024

Distribution Coefficient, logD

4.024

Water Solubility, LogSw

-4.46

Polar Surface Area

41.710

Acid Dissociation Constant (pKa)

17.03

Base Dissociation Constant (pKb)

-4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

S553-0091 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with S553-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S553-0091?
Check Price and Availability of S553-0091, 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 S553-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S553-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S553-0091
  • 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 S553-0091 available by request