8008-7023 Screening compound: 2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(naphthalen-1-yl)butanamide

8008-7023 Screening compound: 2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(naphthalen-1-yl)butanamide
8008-7023 Screening compound: 2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(naphthalen-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-7023
2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(naphthalen-1-yl)butanamide

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

8008-7023

Molecular Formula

C25H23N5OS (C25 H23 N5 OS)

Compound Name

2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(naphthalen-1-yl)butanamide

IUPAC name

2-({5-ethyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)-N-(naphthalen-1-yl)butanamide

SMILES

CCC(C(Nc1cccc2ccccc12)=O)Sc1nnc(c(cccc2)c2n2CC)c2n1

InChI

InChI=1S/C25H23N5OS/c1-3-21(24(31)26-19-14-9-11-16-10-5-6-12-17(16)19)32-25-27-23-22(28-29-25)18-13-7-8-15-20(18)30(23)4-2/h5-15,21H,3-4H2,1-2H3,(H,26,31)/t21-/m0/s1

InChI Key

VXJVVXGKRNKSQF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01414644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.529

Distribution Coefficient, logD

5.528

Water Solubility, LogSw

-6.42

Polar Surface Area

55.096

Acid Dissociation Constant (pKa)

11.64

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8008-7023 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8008-7023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-7023?
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What is the minimum amount of 8008-7023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-7023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-7023
  • 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 8008-7023 available by request