C786-3369 Screening compound: 2-{8-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-(3-methylbutyl)acetamide

C786-3369 Screening compound: 2-{8-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-(3-methylbutyl)acetamide
C786-3369 Screening compound: 2-{8-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-(3-methylbutyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C786-3369
2-{8-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-(3-methylbutyl)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

C786-3369

Molecular Formula

C19H24N4O3 (C19 H24 N4 O3)

Compound Name

2-{8-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-(3-methylbutyl)acetamide

IUPAC name

2-{8-methoxy-4-methyl-1-oxo-1H2H-[124]triazino[45-a]indol-2-yl}-N-(3-methylbutyl)acetamide

SMILES

CC(C)CCNC(CN(C(c1c2)=O)N=C(C)n1c(cc1)c2cc1OC)=O

InChI

InChI=1S/C19H24N4O3/c1-12(2)7-8-20-18(24)11-22-19(25)17-10-14-9-15(26-4)5-6-16(14)23(17)13(3)21-22/h5-6,9-10,12H,7-8,11H2,1-4H3,(H,20,24)

InChI Key

PDFJQICWDVOXDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.504

Distribution Coefficient, logD

2.504

Water Solubility, LogSw

-3.00

Polar Surface Area

61.504

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

C786-3369 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C786-3369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C786-3369?
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What is the minimum amount of C786-3369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-3369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-3369
  • 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 C786-3369 available by request