C887-0495 Screening compound: 2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-methylacetamide

C887-0495 Screening compound: 2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-methylacetamide
C887-0495 Screening compound: 2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C887-0495
2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-methylacetamide

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

C887-0495

Molecular Formula

C13H14N4O3 (C13 H14 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(n1c2cc3c1cco3)=NN(CC(NC)=O)C2=O

InChI

InChI=1S/C13H14N4O3/c1-3-11-15-16(7-12(18)14-2)13(19)9-6-10-8(17(9)11)4-5-20-10/h4-6H,3,7H2,1-2H3,(H,14,18)

InChI Key

SLPXAEKLCWYUDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.095

Distribution Coefficient, logD

0.095

Water Solubility, LogSw

-1.99

Polar Surface Area

63.833

Acid Dissociation Constant (pKa)

15.64

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C887-0495 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C887-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-0495?
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What is the minimum amount of C887-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-0495
  • 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 C887-0495 available by request