C795-0649 Screening compound: N~1~-(4-methoxybenzyl)-4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

C795-0649 Screening compound: N~1~-(4-methoxybenzyl)-4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide
C795-0649 Screening compound: N~1~-(4-methoxybenzyl)-4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0649
N~1~-(4-methoxybenzyl)-4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

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

C795-0649

Molecular Formula

C20H20N4O4 (C20 H20 N4 O4)

Compound Name

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

IUPAC name

N-[(4-methoxyphenyl)methyl]-4-{9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}butanamide

SMILES

COc1ccc(CNC(CCCN(C2=O)N=Cn3c2cc2c3cco2)=O)cc1

InChI

InChI=1S/C20H20N4O4/c1-27-15-6-4-14(5-7-15)12-21-19(25)3-2-9-24-20(26)17-11-18-16(8-10-28-18)23(17)13-22-24/h4-8,10-11,13H,2-3,9,12H2,1H3,(H,21,25)

InChI Key

SBBZXJJSDHYHFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.878

Distribution Coefficient, logD

0.878

Water Solubility, LogSw

-2.00

Polar Surface Area

70.149

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C795-0649 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C795-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0649?
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What is the minimum amount of C795-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0649
  • 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 C795-0649 available by request