8006-2459 Screening compound: N-(naphthalen-1-yl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetamide

8006-2459 Screening compound: N-(naphthalen-1-yl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetamide
8006-2459 Screening compound: N-(naphthalen-1-yl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-2459
N-(naphthalen-1-yl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}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

8006-2459

Molecular Formula

C21H15N5OS (C21 H15 N5 OS)

Compound Name

N-(naphthalen-1-yl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetamide

IUPAC name

N-(naphthalen-1-yl)-2-{5H-[124]triazino[56-b]indol-3-ylsulfanyl}acetamide

SMILES

O=C(CSc1nnc(c(cccc2)c2[nH]2)c2n1)Nc1cccc2ccccc12

InChI

InChI=1S/C21H15N5OS/c27-18(22-16-11-5-7-13-6-1-2-8-14(13)16)12-28-21-24-20-19(25-26-21)15-9-3-4-10-17(15)23-20/h1-11H,12H2,(H,22,27)(H,23,24,26)

InChI Key

VIMQGJMTWJBRNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00777208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.268

Distribution Coefficient, logD

3.268

Water Solubility, LogSw

-3.44

Polar Surface Area

63.715

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

8006-2459 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8006-2459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2459?
Check Price and Availability of 8006-2459, 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 8006-2459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2459
  • 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 8006-2459 available by request