C786-4157 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-{8-fluoro-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide

C786-4157 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-{8-fluoro-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide
C786-4157 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-{8-fluoro-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C786-4157
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-{8-fluoro-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

C786-4157

Molecular Formula

C22H19FN4O4 (C22 H19 FN4 O4)

Compound Name

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-{8-fluoro-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide

IUPAC name

N-[1-(23-dihydro-14-benzodioxin-6-yl)ethyl]-2-{8-fluoro-1-oxo-1H2H-[124]triazino[45-a]indol-2-yl}acetamide

SMILES

CC(c(cc1)cc2c1OCCO2)NC(CN(C(c1c2)=O)N=Cn1c(cc1)c2cc1F)=O

InChI

InChI=1S/C22H19FN4O4/c1-13(14-2-5-19-20(10-14)31-7-6-30-19)25-21(28)11-27-22(29)18-9-15-8-16(23)3-4-17(15)26(18)12-24-27/h2-5,8-10,12-13H,6-7,11H2,1H3,(H,25,28)/t13-/m0/s1

InChI Key

WQRZSHHBZDEYNE-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14795335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.552

Distribution Coefficient, logD

1.552

Water Solubility, LogSw

-2.54

Polar Surface Area

69.141

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

C786-4157 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 C786-4157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C786-4157?
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What is the minimum amount of C786-4157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-4157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-4157
  • 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 C786-4157 available by request