3396-0019 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamide

3396-0019 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamide
3396-0019 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3396-0019
N-(5-methyl-1,2-oxazol-3-yl)-2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamide

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

3396-0019

Molecular Formula

C18H18N6O2S (C18 H18 N6 O2 S)

Compound Name

N-(5-methyl-1,2-oxazol-3-yl)-2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamide

IUPAC name

N-(5-methyl-12-oxazol-3-yl)-2-({5-propyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)acetamide

SMILES

CCCn1c2nc(SCC(Nc3noc(C)c3)=O)nnc2c2c1cccc2

InChI

InChI=1S/C18H18N6O2S/c1-3-8-24-13-7-5-4-6-12(13)16-17(24)20-18(22-21-16)27-10-15(25)19-14-9-11(2)26-23-14/h4-7,9H,3,8,10H2,1-2H3,(H,19,23,25)

InChI Key

XOXBOQPXJXIEIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.544

Distribution Coefficient, logD

3.525

Water Solubility, LogSw

-3.82

Polar Surface Area

77.901

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

3396-0019 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

DGK Inhibitors Library (10558 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3396-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3396-0019?
Check Price and Availability of 3396-0019, 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 3396-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3396-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3396-0019
  • 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 3396-0019 available by request