C786-2800 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-ethyl-9-methoxy-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide

C786-2800 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-ethyl-9-methoxy-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide
C786-2800 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-ethyl-9-methoxy-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C786-2800
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-ethyl-9-methoxy-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

C786-2800

Molecular Formula

C23H28N4O3 (C23 H28 N4 O3)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-ethyl-9-methoxy-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}acetamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-ethyl-9-methoxy-1-oxo-1H2H-[124]triazino[45-a]indol-2-yl}acetamide

SMILES

CCC(n(c1c2)c3c2c(OC)ccc3)=NN(CC(NCCC2=CCCCC2)=O)C1=O

InChI

InChI=1S/C23H28N4O3/c1-3-21-25-26(15-22(28)24-13-12-16-8-5-4-6-9-16)23(29)19-14-17-18(27(19)21)10-7-11-20(17)30-2/h7-8,10-11,14H,3-6,9,12-13,15H2,1-2H3,(H,24,28)

InChI Key

GWTBYOLQKDCTQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.111

Distribution Coefficient, logD

3.111

Water Solubility, LogSw

-3.17

Polar Surface Area

62.603

Acid Dissociation Constant (pKa)

15.55

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

C786-2800 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C786-2800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C786-2800?
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What is the minimum amount of C786-2800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-2800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-2800
  • 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 C786-2800 available by request