C888-0137 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide

C888-0137 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide
C888-0137 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{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 C888-0137
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{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

C888-0137

Molecular Formula

C21H24N4O2 (C21 H24 N4 O2)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-methyl-1-oxo-1H2H-[124]triazino[45-a]indol-2-yl}acetamide

SMILES

CC(n(c1c2)c3c2cccc3)=NN(CC(NCCC2=CCCCC2)=O)C1=O

InChI

InChI=1S/C21H24N4O2/c1-15-23-24(14-20(26)22-12-11-16-7-3-2-4-8-16)21(27)19-13-17-9-5-6-10-18(17)25(15)19/h5-7,9-10,13H,2-4,8,11-12,14H2,1H3,(H,22,26)

InChI Key

BJKFYWAHRRJAMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.748

Distribution Coefficient, logD

2.748

Water Solubility, LogSw

-3.26

Polar Surface Area

53.881

Acid Dissociation Constant (pKa)

15.55

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with C888-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C888-0137?
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What is the minimum amount of C888-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C888-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C888-0137
  • 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 C888-0137 available by request