C786-2534 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide

C786-2534 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide
C786-2534 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-{9-methoxy-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 C786-2534
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-{9-methoxy-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

C786-2534

Molecular Formula

C26H31N5O3 (C26 H31 N5 O3)

Compound Name

N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-{9-methoxy-4-methyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide

IUPAC name

N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-{9-methoxy-4-methyl-1-oxo-1H2H-[124]triazino[45-a]indol-2-yl}acetamide

SMILES

CCN(CCCNC(CN(C(c1c2)=O)N=C(C)n1c1c2c(OC)ccc1)=O)c1cc(C)ccc1

InChI

InChI=1S/C26H31N5O3/c1-5-29(20-10-6-9-18(2)15-20)14-8-13-27-25(32)17-30-26(33)23-16-21-22(31(23)19(3)28-30)11-7-12-24(21)34-4/h6-7,9-12,15-16H,5,8,13-14,17H2,1-4H3,(H,27,32)

InChI Key

QOFXGABXXNTSJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.620

Distribution Coefficient, logD

3.587

Water Solubility, LogSw

-3.68

Polar Surface Area

64.309

Acid Dissociation Constant (pKa)

15.45

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with C786-2534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C786-2534?
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What is the minimum amount of C786-2534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-2534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-2534
  • 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 C786-2534 available by request