C794-0165 Screening compound: N~1~-(2,3-dimethoxybenzyl)-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide

C794-0165 Screening compound: N~1~-(2,3-dimethoxybenzyl)-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide
C794-0165 Screening compound: N~1~-(2,3-dimethoxybenzyl)-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0165
N~1~-(2,3-dimethoxybenzyl)-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-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

C794-0165

Molecular Formula

C20H20N4O5 (C20 H20 N4 O5)

Compound Name

N~1~-(2,3-dimethoxybenzyl)-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide

IUPAC name

N-[(23-dimethoxyphenyl)methyl]-2-{12-methyl-9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}acetamide

SMILES

CC(n1c2cc3c1cco3)=NN(CC(NCc(cccc1OC)c1OC)=O)C2=O

InChI

InChI=1S/C20H20N4O5/c1-12-22-23(20(26)15-9-17-14(24(12)15)7-8-29-17)11-18(25)21-10-13-5-4-6-16(27-2)19(13)28-3/h4-9H,10-11H2,1-3H3,(H,21,25)

InChI Key

IOTVGIWRZCDODE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.812

Distribution Coefficient, logD

1.812

Water Solubility, LogSw

-2.46

Polar Surface Area

77.667

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C794-0165 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C794-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0165?
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What is the minimum amount of C794-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0165
  • 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 C794-0165 available by request