2683-0081 Screening compound: 2-[({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione

2683-0081 Screening compound: 2-[({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione
2683-0081 Screening compound: 2-[({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2683-0081
2-[({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione

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

2683-0081

Molecular Formula

C20H15N5O2S (C20 H15 N5 O2 S)

Compound Name

2-[({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[({5-ethyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)methyl]-23-dihydro-1H-isoindole-13-dione

SMILES

CCn1c2nc(SCN(C(c3c4cccc3)=O)C4=O)nnc2c2c1cccc2

InChI

InChI=1S/C20H15N5O2S/c1-2-24-15-10-6-5-9-14(15)16-17(24)21-20(23-22-16)28-11-25-18(26)12-7-3-4-8-13(12)19(25)27/h3-10H,2,11H2,1H3

InChI Key

MULQLYRPXVTMEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01240506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.516

Distribution Coefficient, logD

3.516

Water Solubility, LogSw

-3.66

Polar Surface Area

60.356

Acid Dissociation Constant (pKa)

24.67

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

2683-0081 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2683-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2683-0081?
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What is the minimum amount of 2683-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2683-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2683-0081
  • 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 2683-0081 available by request