C888-0417 Screening compound: 4,8-dimethyl-2-[(4-methylphenyl)methyl]-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one

C888-0417 Screening compound: 4,8-dimethyl-2-[(4-methylphenyl)methyl]-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one
C888-0417 Screening compound: 4,8-dimethyl-2-[(4-methylphenyl)methyl]-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C888-0417
4,8-dimethyl-2-[(4-methylphenyl)methyl]-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one

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

C888-0417

Molecular Formula

C20H19N3O (C20 H19 N3 O)

Compound Name

4,8-dimethyl-2-[(4-methylphenyl)methyl]-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one

IUPAC name

48-dimethyl-2-[(4-methylphenyl)methyl]-1H2H-[124]triazino[45-a]indol-1-one

SMILES

Cc1ccc(CN(C(c2c3)=O)N=C(C)n2c2c3cc(C)cc2)cc1

InChI

InChI=1S/C20H19N3O/c1-13-4-7-16(8-5-13)12-22-20(24)19-11-17-10-14(2)6-9-18(17)23(19)15(3)21-22/h4-11H,12H2,1-3H3

InChI Key

GJHOAUQHQYCNJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.383

Distribution Coefficient, logD

4.380

Water Solubility, LogSw

-4.39

Polar Surface Area

29.376

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with C888-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C888-0417?
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What is the minimum amount of C888-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C888-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C888-0417
  • 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 C888-0417 available by request