C784-3281 Screening compound: 4-[5-ethyl-2-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-isopentylbutanamide

C784-3281 Screening compound: 4-[5-ethyl-2-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-isopentylbutanamide
C784-3281 Screening compound: 4-[5-ethyl-2-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-isopentylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C784-3281
4-[5-ethyl-2-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-isopentylbutanamide

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

C784-3281

Molecular Formula

C20H28N4O3 (C20 H28 N4 O3)

Compound Name

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

IUPAC name

4-{12-ethyl-4-methyl-9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}-N-(3-methylbutyl)butanamide

SMILES

CCC(n1c2cc3c1cc(C)o3)=NN(CCCC(NCCC(C)C)=O)C2=O

InChI

InChI=1S/C20H28N4O3/c1-5-18-22-23(10-6-7-19(25)21-9-8-13(2)3)20(26)16-12-17-15(24(16)18)11-14(4)27-17/h11-13H,5-10H2,1-4H3,(H,21,25)

InChI Key

ARKMJUQTQNWPJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.296

Distribution Coefficient, logD

2.280

Water Solubility, LogSw

-2.54

Polar Surface Area

63.016

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

5.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

C784-3281 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C784-3281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C784-3281?
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What is the minimum amount of C784-3281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C784-3281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C784-3281
  • 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 C784-3281 available by request