7790-2903 Screening compound: 4-[5-(3-chloro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylquinoline

7790-2903 Screening compound: 4-[5-(3-chloro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylquinoline
7790-2903 Screening compound: 4-[5-(3-chloro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 7790-2903
4-[5-(3-chloro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylquinoline

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

7790-2903

Molecular Formula

C20H12ClN3OS (C20 H12 ClN3 OS)

Compound Name

4-[5-(3-chloro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylquinoline

IUPAC name

4-[5-(3-chloro-1-benzothiophen-2-yl)-124-oxadiazol-3-yl]-2-methylquinoline

SMILES

Cc1nc2ccccc2c(-c2noc(-c(sc3c4cccc3)c4Cl)n2)c1

InChI

InChI=1S/C20H12ClN3OS/c1-11-10-14(12-6-2-4-8-15(12)22-11)19-23-20(25-24-19)18-17(21)13-7-3-5-9-16(13)26-18/h2-10H,1H3

InChI Key

ZMXIZBUGXPUGDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05259598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.036

Distribution Coefficient, logD

6.036

Water Solubility, LogSw

-6.44

Polar Surface Area

40.528

Acid Dissociation Constant (pKa)

28.08

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

7790-2903 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7790-2903 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7790-2903?
Check Price and Availability of 7790-2903, 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 7790-2903 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7790-2903
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7790-2903
  • 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 7790-2903 available by request