8018-5132 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-(4-nitro-1H-imidazol-5-yl)-1,3,4-oxadiazol-2-amine

8018-5132 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-(4-nitro-1H-imidazol-5-yl)-1,3,4-oxadiazol-2-amine
8018-5132 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-(4-nitro-1H-imidazol-5-yl)-1,3,4-oxadiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5132
N-(2H-1,3-benzodioxol-5-yl)-5-(4-nitro-1H-imidazol-5-yl)-1,3,4-oxadiazol-2-amine

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

8018-5132

Molecular Formula

C12H8N6O5 (C12 H8 N6 O5)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-5-(4-nitro-1H-imidazol-5-yl)-1,3,4-oxadiazol-2-amine

IUPAC name

N-(2H-13-benzodioxol-5-yl)-5-(4-nitro-1H-imidazol-5-yl)-134-oxadiazol-2-amine

SMILES

[O-][N+](c1c(-c2nnc(Nc(cc3)cc4c3OCO4)o2)[nH]cn1)=O

InChI

InChI=1S/C12H8N6O5/c19-18(20)10-9(13-4-14-10)11-16-17-12(23-11)15-6-1-2-7-8(3-6)22-5-21-7/h1-4H,5H2,(H,13,14)(H,15,17)

InChI Key

LXHQXAUXZYNQRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.23

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.945

Distribution Coefficient, logD

0.920

Water Solubility, LogSw

-2.03

Polar Surface Area

113.008

Acid Dissociation Constant (pKa)

1.47

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

8018-5132 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

C-Met Library (15277 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-5132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5132?
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What is the minimum amount of 8018-5132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5132
  • 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 8018-5132 available by request