4476-4854 Screening compound: 2-(3,6-dichloro-1-benzothiophen-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole

4476-4854 Screening compound: 2-(3,6-dichloro-1-benzothiophen-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole
4476-4854 Screening compound: 2-(3,6-dichloro-1-benzothiophen-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-4854
2-(3,6-dichloro-1-benzothiophen-2-yl)-5-(2-methoxyphenyl)-1,3,4-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

4476-4854

Molecular Formula

C17H10Cl2N2O2S (C17 H10 Cl2 N2 O2 S)

Compound Name

2-(3,6-dichloro-1-benzothiophen-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole

IUPAC name

2-(36-dichloro-1-benzothiophen-2-yl)-5-(2-methoxyphenyl)-134-oxadiazole

SMILES

COc(cccc1)c1-c1nnc(-c(sc2c3ccc(Cl)c2)c3Cl)o1

InChI

InChI=1S/C17H10Cl2N2O2S/c1-22-12-5-3-2-4-10(12)16-20-21-17(23-16)15-14(19)11-7-6-9(18)8-13(11)24-15/h2-8H,1H3

InChI Key

COONIYPFPAOYGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01948781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.410

Distribution Coefficient, logD

5.410

Water Solubility, LogSw

-6.12

Polar Surface Area

38.860

Acid Dissociation Constant (pKa)

32.41

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

4476-4854 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4476-4854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-4854?
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What is the minimum amount of 4476-4854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-4854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-4854
  • 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 4476-4854 available by request