C887-1543 Screening compound: 4-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(4-ethylphenyl)butanamide

C887-1543 Screening compound: 4-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(4-ethylphenyl)butanamide
C887-1543 Screening compound: 4-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(4-ethylphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C887-1543
4-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(4-ethylphenyl)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

C887-1543

Molecular Formula

C22H24N4O3 (C22 H24 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1NC(CCCN(C1=O)N=C(CC)n2c1cc1c2cco1)=O

InChI

InChI=1S/C22H24N4O3/c1-3-15-7-9-16(10-8-15)23-21(27)6-5-12-25-22(28)18-14-19-17(11-13-29-19)26(18)20(4-2)24-25/h7-11,13-14H,3-6,12H2,1-2H3,(H,23,27)

InChI Key

QAUUFZMMVVGXBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.114

Distribution Coefficient, logD

3.110

Water Solubility, LogSw

-3.32

Polar Surface Area

62.067

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

5.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C887-1543 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C887-1543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-1543?
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What is the minimum amount of C887-1543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-1543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-1543
  • 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 C887-1543 available by request