5818-0641 Screening compound: 8-ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol

5818-0641 Screening compound: 8-ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
5818-0641 Screening compound: 8-ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5818-0641
8-ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol

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

5818-0641

Molecular Formula

C12H12N4S (C12 H12 N4 S)

Compound Name

8-ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol

IUPAC name

8-ethyl-5-methyl-5H-[124]triazino[56-b]indole-3-thiol

SMILES

CCc(cc1)cc2c1n(C)c1nc(S)nnc12

InChI

InChI=1S/C12H12N4S/c1-3-7-4-5-9-8(6-7)10-11(16(9)2)13-12(17)15-14-10/h4-6H,3H2,1-2H3,(H,13,15,17)

InChI Key

GBTHLTJFMWHZCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04004951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.482

Distribution Coefficient, logD

1.257

Water Solubility, LogSw

-2.69

Polar Surface Area

32.936

Acid Dissociation Constant (pKa)

6.20

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5818-0641 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5818-0641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5818-0641?
Check Price and Availability of 5818-0641, 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 5818-0641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5818-0641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5818-0641
  • 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 5818-0641 available by request