C786-3311 Screening compound: N-benzyl-2-{8-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide

C786-3311 Screening compound: N-benzyl-2-{8-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide
C786-3311 Screening compound: N-benzyl-2-{8-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 C786-3311
N-benzyl-2-{8-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

C786-3311

Molecular Formula

C21H20N4O3 (C21 H20 N4 O3)

Compound Name

N-benzyl-2-{8-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide

IUPAC name

N-benzyl-2-{8-methoxy-4-methyl-1-oxo-1H2H-[124]triazino[45-a]indol-2-yl}acetamide

SMILES

CC(n(c1c2)c(cc3)c2cc3OC)=NN(CC(NCc2ccccc2)=O)C1=O

InChI

InChI=1S/C21H20N4O3/c1-14-23-24(13-20(26)22-12-15-6-4-3-5-7-15)21(27)19-11-16-10-17(28-2)8-9-18(16)25(14)19/h3-11H,12-13H2,1-2H3,(H,22,26)

InChI Key

IOEOYQNSDWLSMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.637

Distribution Coefficient, logD

2.637

Water Solubility, LogSw

-3.06

Polar Surface Area

61.391

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with C786-3311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C786-3311?
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What is the minimum amount of C786-3311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-3311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-3311
  • 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 C786-3311 available by request