2683-0056 Screening compound: (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl 2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetate

2683-0056 Screening compound: (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl 2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetate
2683-0056 Screening compound: (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl 2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2683-0056
(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl 2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetate

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

2683-0056

Molecular Formula

C21H15N5O4S (C21 H15 N5 O4 S)

Compound Name

(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl 2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetate

IUPAC name

(13-dioxo-23-dihydro-1H-isoindol-2-yl)methyl 2-({5-methyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)acetate

SMILES

Cn1c2nc(SCC(OCN(C(c3c4cccc3)=O)C4=O)=O)nnc2c2c1cccc2

InChI

InChI=1S/C21H15N5O4S/c1-25-15-9-5-4-8-14(15)17-18(25)22-21(24-23-17)31-10-16(27)30-11-26-19(28)12-6-2-3-7-13(12)20(26)29/h2-9H,10-11H2,1H3

InChI Key

GYAPTLSJQCAPJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00826954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.496

Distribution Coefficient, logD

2.496

Water Solubility, LogSw

-2.79

Polar Surface Area

84.323

Acid Dissociation Constant (pKa)

16.42

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

2683-0056 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 2683-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2683-0056?
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What is the minimum amount of 2683-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2683-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2683-0056
  • 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 2683-0056 available by request