C888-0514 Screening compound: 2-[(4-chlorophenyl)methyl]-4,8-dimethyl-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one

C888-0514 Screening compound: 2-[(4-chlorophenyl)methyl]-4,8-dimethyl-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one
C888-0514 Screening compound: 2-[(4-chlorophenyl)methyl]-4,8-dimethyl-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C888-0514
2-[(4-chlorophenyl)methyl]-4,8-dimethyl-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

C888-0514

Molecular Formula

C19H16ClN3O (C19 H16 ClN3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(cc23)c1n2C(C)=NN(Cc(cc1)ccc1Cl)C3=O

InChI

InChI=1S/C19H16ClN3O/c1-12-3-8-17-15(9-12)10-18-19(24)22(21-13(2)23(17)18)11-14-4-6-16(20)7-5-14/h3-10H,11H2,1-2H3

InChI Key

GLNQDDSYZXMMDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.81

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

4.554

Distribution Coefficient, logD

4.551

Water Solubility, LogSw

-4.55

Polar Surface Area

29.376

Acid Dissociation Constant (pKa)

23.20

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C888-0514 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 C888-0514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C888-0514?
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What is the minimum amount of C888-0514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C888-0514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C888-0514
  • 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 C888-0514 available by request