8009-2251 Screening compound: 2-({[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-2,3-dihydro-1H-isoindole-1,3-dione

8009-2251 Screening compound: 2-({[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-2,3-dihydro-1H-isoindole-1,3-dione
8009-2251 Screening compound: 2-({[5-(propan-2-yl)-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 8009-2251
2-({[5-(propan-2-yl)-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

8009-2251

Molecular Formula

C21H17N5O2S (C21 H17 N5 O2 S)

Compound Name

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

SMILES

CC(C)n1c2nc(SCN(C(c3c4cccc3)=O)C4=O)nnc2c2c1cccc2

InChI

InChI=1S/C21H17N5O2S/c1-12(2)26-16-10-6-5-9-15(16)17-18(26)22-21(24-23-17)29-11-25-19(27)13-7-3-4-8-14(13)20(25)28/h3-10,12H,11H2,1-2H3

InChI Key

OORXZOBYEDQGLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.46

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

3.638

Distribution Coefficient, logD

3.638

Water Solubility, LogSw

-3.89

Polar Surface Area

61.707

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

8009-2251 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 8009-2251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2251?
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What is the minimum amount of 8009-2251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2251
  • 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 8009-2251 available by request