C786-1572 Screening compound: 2-{4,8-dimethyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[(4-methoxyphenyl)methyl]acetamide

C786-1572 Screening compound: 2-{4,8-dimethyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[(4-methoxyphenyl)methyl]acetamide
C786-1572 Screening compound: 2-{4,8-dimethyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[(4-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C786-1572
2-{4,8-dimethyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[(4-methoxyphenyl)methyl]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

C786-1572

Molecular Formula

C22H22N4O3 (C22 H22 N4 O3)

Compound Name

2-{4,8-dimethyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[(4-methoxyphenyl)methyl]acetamide

IUPAC name

2-{48-dimethyl-1-oxo-1H2H-[124]triazino[45-a]indol-2-yl}-N-[(4-methoxyphenyl)methyl]acetamide

SMILES

Cc(cc1)cc(cc23)c1n2C(C)=NN(CC(NCc(cc1)ccc1OC)=O)C3=O

InChI

InChI=1S/C22H22N4O3/c1-14-4-9-19-17(10-14)11-20-22(28)25(24-15(2)26(19)20)13-21(27)23-12-16-5-7-18(29-3)8-6-16/h4-11H,12-13H2,1-3H3,(H,23,27)

InChI Key

FBAYLZYDPWPCMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.44

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

3.098

Distribution Coefficient, logD

3.098

Water Solubility, LogSw

-3.26

Polar Surface Area

61.391

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with C786-1572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C786-1572?
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What is the minimum amount of C786-1572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-1572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-1572
  • 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 C786-1572 available by request