C786-1755 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-2-{4,8-dimethyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide

C786-1755 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-2-{4,8-dimethyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide
C786-1755 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-2-{4,8-dimethyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C786-1755
N-[(5-bromo-2-methoxyphenyl)methyl]-2-{4,8-dimethyl-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

C786-1755

Molecular Formula

C22H21BrN4O3 (C22 H21 BrN4 O3)

Compound Name

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

IUPAC name

N-[(5-bromo-2-methoxyphenyl)methyl]-2-{48-dimethyl-1-oxo-1H2H-[124]triazino[45-a]indol-2-yl}acetamide

SMILES

Cc(cc1)cc(cc23)c1n2C(C)=NN(CC(NCc(cc(cc1)Br)c1OC)=O)C3=O

InChI

InChI=1S/C22H21BrN4O3/c1-13-4-6-18-15(8-13)10-19-22(29)26(25-14(2)27(18)19)12-21(28)24-11-16-9-17(23)5-7-20(16)30-3/h4-10H,11-12H2,1-3H3,(H,24,28)

InChI Key

XXOPZTZXKRUADE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.009

Distribution Coefficient, logD

4.009

Water Solubility, LogSw

-4.21

Polar Surface Area

61.478

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with C786-1755 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-1755
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-1755
  • 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 C786-1755 available by request