8018-4113 Screening compound: N-[5-(4-amino-3-isothiazolyl)-1,3,4-oxadiazol-2-yl]-N-(1,3-benzodioxol-5-yl)amine

8018-4113 Screening compound: N-[5-(4-amino-3-isothiazolyl)-1,3,4-oxadiazol-2-yl]-N-(1,3-benzodioxol-5-yl)amine
8018-4113 Screening compound: N-[5-(4-amino-3-isothiazolyl)-1,3,4-oxadiazol-2-yl]-N-(1,3-benzodioxol-5-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4113
N-[5-(4-amino-3-isothiazolyl)-1,3,4-oxadiazol-2-yl]-N-(1,3-benzodioxol-5-yl)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

8018-4113

Molecular Formula

C12H9N5O3S (C12 H9 N5 O3 S)

Compound Name

N-[5-(4-amino-3-isothiazolyl)-1,3,4-oxadiazol-2-yl]-N-(1,3-benzodioxol-5-yl)amine

IUPAC name

5-(4-amino-12-thiazol-3-yl)-N-(2H-13-benzodioxol-5-yl)-134-oxadiazol-2-amine

SMILES

Nc1csnc1-c1nnc(Nc(cc2)cc3c2OCO3)o1

InChI

InChI=1S/C12H9N5O3S/c13-7-4-21-17-10(7)11-15-16-12(20-11)14-6-1-2-8-9(3-6)19-5-18-8/h1-4H,5,13H2,(H,14,16)

InChI Key

QVWIOFKXLKSZTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.540

Distribution Coefficient, logD

1.540

Water Solubility, LogSw

-2.34

Polar Surface Area

89.192

Acid Dissociation Constant (pKa)

16.96

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.33

8018-4113 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

C-Met Library (15277 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Agro:
  • Agro
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-4113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4113?
Check Price and Availability of 8018-4113, 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 8018-4113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4113
  • 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 8018-4113 available by request