8017-7768 Screening compound: [3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl (2-nitrophenyl) ether

8017-7768 Screening compound: [3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl (2-nitrophenyl) ether
8017-7768 Screening compound: [3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl (2-nitrophenyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7768
[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl (2-nitrophenyl) ether

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

8017-7768

Molecular Formula

C16H11N3O6 (C16 H11 N3 O6)

Compound Name

[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl (2-nitrophenyl) ether

IUPAC name

3-(2H-13-benzodioxol-5-yl)-5-[(2-nitrophenoxy)methyl]-124-oxadiazole

SMILES

[O-][N+](c(cccc1)c1OCc1nc(-c(cc2)cc3c2OCO3)no1)=O

InChI

InChI=1S/C16H11N3O6/c20-19(21)11-3-1-2-4-12(11)22-8-15-17-16(18-25-15)10-5-6-13-14(7-10)24-9-23-13/h1-7H,8-9H2

InChI Key

SVNIUCJNQZUYQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.28

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.635

Distribution Coefficient, logD

3.635

Water Solubility, LogSw

-4.08

Polar Surface Area

89.092

Acid Dissociation Constant (pKa)

31.43

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8017-7768 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8017-7768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7768?
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What is the minimum amount of 8017-7768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7768
  • 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 8017-7768 available by request