C786-2871 Screening compound: 2-{4-ethyl-9-methoxy-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide

C786-2871 Screening compound: 2-{4-ethyl-9-methoxy-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
C786-2871 Screening compound: 2-{4-ethyl-9-methoxy-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C786-2871
2-{4-ethyl-9-methoxy-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[2-(4-methylpiperazin-1-yl)ethyl]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

C786-2871

Molecular Formula

C22H30N6O3 (C22 H30 N6 O3)

Compound Name

2-{4-ethyl-9-methoxy-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide

IUPAC name

2-{4-ethyl-9-methoxy-1-oxo-1H2H-[124]triazino[45-a]indol-2-yl}-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide

SMILES

CCC(n(c1c2)c3c2c(OC)ccc3)=NN(CC(NCCN2CCN(C)CC2)=O)C1=O

InChI

InChI=1S/C22H30N6O3/c1-4-20-24-27(15-21(29)23-8-9-26-12-10-25(2)11-13-26)22(30)18-14-16-17(28(18)20)6-5-7-19(16)31-3/h5-7,14H,4,8-13,15H2,1-3H3,(H,23,29)

InChI Key

UXXVPPXUJJRWGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.793

Distribution Coefficient, logD

0.126

Water Solubility, LogSw

-2.20

Polar Surface Area

69.870

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C786-2871 in Drug Discovery

Included in Screening Libraries

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 C786-2871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C786-2871?
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What is the minimum amount of C786-2871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-2871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-2871
  • 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 C786-2871 available by request