3698-0110 Screening compound: 2-({5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide

3698-0110 Screening compound: 2-({5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide
3698-0110 Screening compound: 2-({5-benzyl-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 3698-0110
2-({5-benzyl-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

3698-0110

Molecular Formula

C24H20N6O3S2 (C24 H20 N6 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

NS(c(cc1)ccc1NC(CSc1nnc(c(cccc2)c2n2Cc3ccccc3)c2n1)=O)(=O)=O

InChI

InChI=1S/C24H20N6O3S2/c25-35(32,33)18-12-10-17(11-13-18)26-21(31)15-34-24-27-23-22(28-29-24)19-8-4-5-9-20(19)30(23)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,26,31)(H2,25,32,33)

InChI Key

AOGOYVRMBSXAMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.59

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

3.236

Distribution Coefficient, logD

3.235

Water Solubility, LogSw

-3.59

Polar Surface Area

106.459

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

3698-0110 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3698-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3698-0110?
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What is the minimum amount of 3698-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3698-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3698-0110
  • 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 3698-0110 available by request