C786-2547 Screening compound: N-[3-(4-ethylpiperazin-1-yl)propyl]-2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide

C786-2547 Screening compound: N-[3-(4-ethylpiperazin-1-yl)propyl]-2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide
C786-2547 Screening compound: N-[3-(4-ethylpiperazin-1-yl)propyl]-2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C786-2547
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}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

C786-2547

Molecular Formula

C23H32N6O3 (C23 H32 N6 O3)

Compound Name

N-[3-(4-ethylpiperazin-1-yl)propyl]-2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide

IUPAC name

N-[3-(4-ethylpiperazin-1-yl)propyl]-2-{9-methoxy-4-methyl-1-oxo-1H2H-[124]triazino[45-a]indol-2-yl}acetamide

SMILES

CCN1CCN(CCCNC(CN(C(c2c3)=O)N=C(C)n2c2c3c(OC)ccc2)=O)CC1

InChI

InChI=1S/C23H32N6O3/c1-4-26-11-13-27(14-12-26)10-6-9-24-22(30)16-28-23(31)20-15-18-19(29(20)17(2)25-28)7-5-8-21(18)32-3/h5,7-8,15H,4,6,9-14,16H2,1-3H3,(H,24,30)

InChI Key

YJFJXGSTIDWDCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.924

Distribution Coefficient, logD

-0.024

Water Solubility, LogSw

-2.17

Polar Surface Area

68.839

Acid Dissociation Constant (pKa)

16.02

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

C786-2547 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C786-2547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C786-2547?
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What is the minimum amount of C786-2547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-2547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-2547
  • 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 C786-2547 available by request