C888-0109 Screening compound: 2-{4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-propylacetamide

C888-0109 Screening compound: 2-{4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-propylacetamide
C888-0109 Screening compound: 2-{4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C888-0109
2-{4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-propylacetamide

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

C888-0109

Molecular Formula

C16H18N4O2 (C16 H18 N4 O2)

Compound Name

2-{4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-propylacetamide

IUPAC name

2-{4-methyl-1-oxo-1H2H-[124]triazino[45-a]indol-2-yl}-N-propylacetamide

SMILES

CCCNC(CN(C(c1c2)=O)N=C(C)n1c1c2cccc1)=O

InChI

InChI=1S/C16H18N4O2/c1-3-8-17-15(21)10-19-16(22)14-9-12-6-4-5-7-13(12)20(14)11(2)18-19/h4-7,9H,3,8,10H2,1-2H3,(H,17,21)

InChI Key

UFXSTCMNLOAYAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.670

Distribution Coefficient, logD

1.670

Water Solubility, LogSw

-2.56

Polar Surface Area

53.960

Acid Dissociation Constant (pKa)

16.02

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C888-0109 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 C888-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C888-0109?
Check Price and Availability of C888-0109, 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 C888-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C888-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C888-0109
  • 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 C888-0109 available by request