6623-1391 Screening compound: 5-benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol

6623-1391 Screening compound: 5-benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
6623-1391 Screening compound: 5-benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6623-1391
5-benzyl-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

6623-1391

Molecular Formula

C16H12N4S (C16 H12 N4 S)

Compound Name

5-benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol

IUPAC name

5-benzyl-5H-[124]triazino[56-b]indole-3-thiol

SMILES

Sc1nnc(c(cccc2)c2n2Cc3ccccc3)c2n1

InChI

InChI=1S/C16H12N4S/c21-16-17-15-14(18-19-16)12-8-4-5-9-13(12)20(15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,19,21)

InChI Key

CMWAFGJNLNZSMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00636520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.405

Distribution Coefficient, logD

2.180

Water Solubility, LogSw

-3.36

Polar Surface Area

31.855

Acid Dissociation Constant (pKa)

6.20

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

6623-1391 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Carbonic Anhydrase II Library (4939 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 6623-1391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6623-1391?
Check Price and Availability of 6623-1391, 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 6623-1391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6623-1391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6623-1391
  • 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 6623-1391 available by request