2049-1674 Screening compound: 3-(hexylsulfanyl)-5-methyl-5H-[1,2,4]triazino[5,6-b]indole

2049-1674 Screening compound: 3-(hexylsulfanyl)-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
2049-1674 Screening compound: 3-(hexylsulfanyl)-5-methyl-5H-[1,2,4]triazino[5,6-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2049-1674
3-(hexylsulfanyl)-5-methyl-5H-[1,2,4]triazino[5,6-b]indole

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

2049-1674

Molecular Formula

C16H20N4S (C16 H20 N4 S)

Compound Name

3-(hexylsulfanyl)-5-methyl-5H-[1,2,4]triazino[5,6-b]indole

IUPAC name

3-(hexylsulfanyl)-5-methyl-5H-[124]triazino[56-b]indole

SMILES

CCCCCCSc1nnc(c(cccc2)c2n2C)c2n1

InChI

InChI=1S/C16H20N4S/c1-3-4-5-8-11-21-16-17-15-14(18-19-16)12-9-6-7-10-13(12)20(15)2/h6-7,9-10H,3-5,8,11H2,1-2H3

InChI Key

GKLZWKSQGMJIAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01019128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.714

Distribution Coefficient, logD

4.714

Water Solubility, LogSw

-4.71

Polar Surface Area

34.060

Acid Dissociation Constant (pKa)

23.45

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

2049-1674 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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 2049-1674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2049-1674?
Check Price and Availability of 2049-1674, 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 2049-1674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2049-1674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2049-1674
  • 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 2049-1674 available by request