3698-0044 Screening compound: 2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide

3698-0044 Screening compound: 2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide
3698-0044 Screening compound: 2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3698-0044
2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)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

3698-0044

Molecular Formula

C20H20N6O3S2 (C20 H20 N6 O3 S2)

Compound Name

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

IUPAC name

2-({5-propyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide

SMILES

CCCn1c2nc(SCC(Nc(cc3)ccc3S(N)(=O)=O)=O)nnc2c2c1cccc2

InChI

InChI=1S/C20H20N6O3S2/c1-2-11-26-16-6-4-3-5-15(16)18-19(26)23-20(25-24-18)30-12-17(27)22-13-7-9-14(10-8-13)31(21,28)29/h3-10H,2,11-12H2,1H3,(H,22,27)(H2,21,28,29)

InChI Key

LMGSMAGEQSSXER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01821671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.530

Distribution Coefficient, logD

2.529

Water Solubility, LogSw

-2.83

Polar Surface Area

106.709

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3698-0044 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 3698-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3698-0044?
Check Price and Availability of 3698-0044, 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 3698-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3698-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3698-0044
  • 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 3698-0044 available by request