6048-0068 Screening compound: 2-(3-chloro-1-benzothiophen-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole

6048-0068 Screening compound: 2-(3-chloro-1-benzothiophen-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
6048-0068 Screening compound: 2-(3-chloro-1-benzothiophen-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6048-0068
2-(3-chloro-1-benzothiophen-2-yl)-5-(4-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

6048-0068

Molecular Formula

C17H11ClN2O2S (C17 H11 ClN2 O2 S)

Compound Name

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

IUPAC name

2-(3-chloro-1-benzothiophen-2-yl)-5-(4-methoxyphenyl)-134-oxadiazole

SMILES

COc(cc1)ccc1-c1nnc(-c(sc2c3cccc2)c3Cl)o1

InChI

InChI=1S/C17H11ClN2O2S/c1-21-11-8-6-10(7-9-11)16-19-20-17(22-16)15-14(18)12-4-2-3-5-13(12)23-15/h2-9H,1H3

InChI Key

MWVZCBSEIZIMGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00785299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.81

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

4.983

Distribution Coefficient, logD

4.983

Water Solubility, LogSw

-5.23

Polar Surface Area

38.773

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 6048-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6048-0068?
Check Price and Availability of 6048-0068, 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 6048-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6048-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6048-0068
  • 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 6048-0068 available by request