C797-1428 Screening compound: 2-{4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-(2-phenylpropyl)acetamide

C797-1428 Screening compound: 2-{4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-(2-phenylpropyl)acetamide
C797-1428 Screening compound: 2-{4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-(2-phenylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1428
2-{4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-(2-phenylpropyl)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

C797-1428

Molecular Formula

C22H22N4O2 (C22 H22 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(CNC(CN(C(c1c2)=O)N=C(C)n1c1c2cccc1)=O)c1ccccc1

InChI

InChI=1S/C22H22N4O2/c1-15(17-8-4-3-5-9-17)13-23-21(27)14-25-22(28)20-12-18-10-6-7-11-19(18)26(20)16(2)24-25/h3-12,15H,13-14H2,1-2H3,(H,23,27)/t15-/m0/s1

InChI Key

HMWXRNMWXLXZOD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14798684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.44

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

3.448

Distribution Coefficient, logD

3.448

Water Solubility, LogSw

-3.64

Polar Surface Area

53.847

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

C797-1428 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C797-1428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1428?
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What is the minimum amount of C797-1428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1428
  • 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 C797-1428 available by request