C786-1612 Screening compound: 2-{4,8-dimethyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[(4-fluorophenyl)methyl]acetamide

C786-1612 Screening compound: 2-{4,8-dimethyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[(4-fluorophenyl)methyl]acetamide
C786-1612 Screening compound: 2-{4,8-dimethyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[(4-fluorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C786-1612
2-{4,8-dimethyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[(4-fluorophenyl)methyl]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

C786-1612

Molecular Formula

C21H19FN4O2 (C21 H19 FN4 O2)

Compound Name

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

IUPAC name

2-{48-dimethyl-1-oxo-1H2H-[124]triazino[45-a]indol-2-yl}-N-[(4-fluorophenyl)methyl]acetamide

SMILES

Cc(cc1)cc(cc23)c1n2C(C)=NN(CC(NCc(cc1)ccc1F)=O)C3=O

InChI

InChI=1S/C21H19FN4O2/c1-13-3-8-18-16(9-13)10-19-21(28)25(24-14(2)26(18)19)12-20(27)23-11-15-4-6-17(22)7-5-15/h3-10H,11-12H2,1-2H3,(H,23,27)

InChI Key

RXRGJHDAULWXPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.145

Distribution Coefficient, logD

3.145

Water Solubility, LogSw

-3.13

Polar Surface Area

53.847

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with C786-1612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C786-1612?
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What is the minimum amount of C786-1612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-1612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-1612
  • 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 C786-1612 available by request