1649-0099 Screening compound: 2-methyl-2H,3H,5H-[1,2,4]triazino[5,6-b]indole-3-thione

1649-0099 Screening compound: 2-methyl-2H,3H,5H-[1,2,4]triazino[5,6-b]indole-3-thione
1649-0099 Screening compound: 2-methyl-2H,3H,5H-[1,2,4]triazino[5,6-b]indole-3-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1649-0099
2-methyl-2H,3H,5H-[1,2,4]triazino[5,6-b]indole-3-thione

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

1649-0099

Molecular Formula

C10H8N4S (C10 H8 N4 S)

Compound Name

2-methyl-2H,3H,5H-[1,2,4]triazino[5,6-b]indole-3-thione

IUPAC name

2-methyl-2H3H5H-[124]triazino[56-b]indole-3-thione

SMILES

CN1N=C(c(cccc2)c2N2)C2=NC1=S

InChI

InChI=1S/C10H8N4S/c1-14-10(15)12-9-8(13-14)6-4-2-3-5-7(6)11-9/h2-5H,1H3,(H,11,12,15)

InChI Key

LDAZMQASVFAPJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00455166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

216.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.393

Distribution Coefficient, logD

1.383

Water Solubility, LogSw

-1.89

Polar Surface Area

31.505

Acid Dissociation Constant (pKa)

16.05

Base Dissociation Constant (pKb)

5.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

1649-0099 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1649-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1649-0099?
Check Price and Availability of 1649-0099, 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 1649-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1649-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1649-0099
  • 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 1649-0099 available by request