C786-4486 Screening compound: N-[(4-ethylphenyl)methyl]-2-{8-fluoro-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide

C786-4486 Screening compound: N-[(4-ethylphenyl)methyl]-2-{8-fluoro-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide
C786-4486 Screening compound: N-[(4-ethylphenyl)methyl]-2-{8-fluoro-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 C786-4486
N-[(4-ethylphenyl)methyl]-2-{8-fluoro-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

C786-4486

Molecular Formula

C22H21FN4O2 (C22 H21 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc1ccc(CNC(CN(C(c2c3)=O)N=C(C)n2c(cc2)c3cc2F)=O)cc1

InChI

InChI=1S/C22H21FN4O2/c1-3-15-4-6-16(7-5-15)12-24-21(28)13-26-22(29)20-11-17-10-18(23)8-9-19(17)27(20)14(2)25-26/h4-11H,3,12-13H2,1-2H3,(H,24,28)

InChI Key

XKMKZKQAXCZAFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.43

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

3.622

Distribution Coefficient, logD

3.622

Water Solubility, LogSw

-3.77

Polar Surface Area

53.847

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C786-4486 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C786-4486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C786-4486?
Check Price and Availability of C786-4486, 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 C786-4486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-4486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-4486
  • 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 C786-4486 available by request