8019-3973 Screening compound: 4,7-dimethoxy-2-({[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1H-1,3-benzodiazole

8019-3973 Screening compound: 4,7-dimethoxy-2-({[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1H-1,3-benzodiazole
8019-3973 Screening compound: 4,7-dimethoxy-2-({[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3973
4,7-dimethoxy-2-({[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1H-1,3-benzodiazole

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

8019-3973

Molecular Formula

C21H22N4O6S (C21 H22 N4 O6 S)

Compound Name

4,7-dimethoxy-2-({[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1H-1,3-benzodiazole

IUPAC name

47-dimethoxy-2-({[5-(345-trimethoxyphenyl)-134-oxadiazol-2-yl]methyl}sulfanyl)-1H-13-benzodiazole

SMILES

COc(c([nH]1)c2nc1SCc1nnc(-c(cc3OC)cc(OC)c3OC)o1)ccc2OC

InChI

InChI=1S/C21H22N4O6S/c1-26-12-6-7-13(27-2)18-17(12)22-21(23-18)32-10-16-24-25-20(31-16)11-8-14(28-3)19(30-5)15(9-11)29-4/h6-9H,10H2,1-5H3,(H,22,23)

InChI Key

HNFOLKWEOJFYMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.497

Distribution Coefficient, logD

2.464

Water Solubility, LogSw

-2.87

Polar Surface Area

87.941

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8019-3973 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8019-3973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3973?
Check Price and Availability of 8019-3973, 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 8019-3973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3973
  • 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 8019-3973 available by request