C786-2401 Screening compound: N-[(2-chlorophenyl)methyl]-2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide

C786-2401 Screening compound: N-[(2-chlorophenyl)methyl]-2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide
C786-2401 Screening compound: N-[(2-chlorophenyl)methyl]-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 C786-2401
N-[(2-chlorophenyl)methyl]-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

C786-2401

Molecular Formula

C21H19ClN4O3 (C21 H19 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(n(c1c2)c3c2c(OC)ccc3)=NN(CC(NCc(cccc2)c2Cl)=O)C1=O

InChI

InChI=1S/C21H19ClN4O3/c1-13-24-25(12-20(27)23-11-14-6-3-4-7-16(14)22)21(28)18-10-15-17(26(13)18)8-5-9-19(15)29-2/h3-10H,11-12H2,1-2H3,(H,23,27)

InChI Key

XMRKWPABRYTLIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.86

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

3.412

Distribution Coefficient, logD

3.412

Water Solubility, LogSw

-3.62

Polar Surface Area

61.478

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C786-2401 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C786-2401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C786-2401?
Check Price and Availability of C786-2401, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C786-2401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-2401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-2401
  • 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 C786-2401 available by request