6687-0587 Screening compound: 5-[(1E)-2-(3,4-diethoxyphenyl)ethenyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole

6687-0587 Screening compound: 5-[(1E)-2-(3,4-diethoxyphenyl)ethenyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
6687-0587 Screening compound: 5-[(1E)-2-(3,4-diethoxyphenyl)ethenyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6687-0587
5-[(1E)-2-(3,4-diethoxyphenyl)ethenyl]-3-(3,4-dimethoxyphenyl)-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

6687-0587

Molecular Formula

C22H24N2O5 (C22 H24 N2 O5)

Compound Name

5-[(1E)-2-(3,4-diethoxyphenyl)ethenyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole

IUPAC name

5-[(1E)-2-(34-diethoxyphenyl)ethenyl]-3-(34-dimethoxyphenyl)-124-oxadiazole

SMILES

CCOc(ccc(/C=C/c1nc(-c(cc2)cc(OC)c2OC)no1)c1)c1OCC

InChI

InChI=1S/C22H24N2O5/c1-5-27-18-10-7-15(13-20(18)28-6-2)8-12-21-23-22(24-29-21)16-9-11-17(25-3)19(14-16)26-4/h7-14H,5-6H2,1-4H3

InChI Key

YSNHOOIYCCRFEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06361302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.772

Distribution Coefficient, logD

4.772

Water Solubility, LogSw

-4.58

Polar Surface Area

60.991

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-5.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

6687-0587 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6687-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6687-0587?
Check Price and Availability of 6687-0587, 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 6687-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6687-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6687-0587
  • 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 6687-0587 available by request