C786-2693 Screening compound: 2-{4-ethyl-9-methoxy-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[(pyridin-2-yl)methyl]acetamide

C786-2693 Screening compound: 2-{4-ethyl-9-methoxy-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[(pyridin-2-yl)methyl]acetamide
C786-2693 Screening compound: 2-{4-ethyl-9-methoxy-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[(pyridin-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C786-2693
2-{4-ethyl-9-methoxy-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-[(pyridin-2-yl)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

C786-2693

Molecular Formula

C21H21N5O3 (C21 H21 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(n(c1c2)c3c2c(OC)ccc3)=NN(CC(NCc2ncccc2)=O)C1=O

InChI

InChI=1S/C21H21N5O3/c1-3-19-24-25(13-20(27)23-12-14-7-4-5-10-22-14)21(28)17-11-15-16(26(17)19)8-6-9-18(15)29-2/h4-11H,3,12-13H2,1-2H3,(H,23,27)

InChI Key

MCYYNCXMRVXJQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.056

Distribution Coefficient, logD

2.055

Water Solubility, LogSw

-2.78

Polar Surface Area

72.113

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C786-2693 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 C786-2693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C786-2693?
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What is the minimum amount of C786-2693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-2693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-2693
  • 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 C786-2693 available by request