C794-0297 Screening compound: N~1~-(3,4-dimethoxybenzyl)-4-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

C794-0297 Screening compound: N~1~-(3,4-dimethoxybenzyl)-4-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide
C794-0297 Screening compound: N~1~-(3,4-dimethoxybenzyl)-4-[5-ethyl-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 C794-0297
N~1~-(3,4-dimethoxybenzyl)-4-[5-ethyl-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

C794-0297

Molecular Formula

C23H26N4O5 (C23 H26 N4 O5)

Compound Name

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

IUPAC name

N-[(34-dimethoxyphenyl)methyl]-4-{12-ethyl-9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}butanamide

SMILES

CCC(n1c2cc3c1cco3)=NN(CCCC(NCc(cc1)cc(OC)c1OC)=O)C2=O

InChI

InChI=1S/C23H26N4O5/c1-4-21-25-26(23(29)17-13-19-16(27(17)21)9-11-32-19)10-5-6-22(28)24-14-15-7-8-18(30-2)20(12-15)31-3/h7-9,11-13H,4-6,10,14H2,1-3H3,(H,24,28)

InChI Key

GHAGKUQUWRODTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.498

Distribution Coefficient, logD

1.495

Water Solubility, LogSw

-2.13

Polar Surface Area

78.650

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

5.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C794-0297 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C794-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0297?
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What is the minimum amount of C794-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0297
  • 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 C794-0297 available by request