C887-1031 Screening compound: 2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-[2-(1H-indol-3-yl)ethyl]propanamide

C887-1031 Screening compound: 2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-[2-(1H-indol-3-yl)ethyl]propanamide
C887-1031 Screening compound: 2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-[2-(1H-indol-3-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C887-1031
2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-[2-(1H-indol-3-yl)ethyl]propanamide

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

C887-1031

Molecular Formula

C23H23N5O3 (C23 H23 N5 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~-[2-(1H-indol-3-yl)ethyl]propanamide

IUPAC name

2-{12-ethyl-9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}-N-[2-(1H-indol-3-yl)ethyl]propanamide

SMILES

CCC(n1c2cc3c1cco3)=NN(C(C)C(NCCc1c[nH]c3c1cccc3)=O)C2=O

InChI

InChI=1S/C23H23N5O3/c1-3-21-26-28(23(30)19-12-20-18(27(19)21)9-11-31-20)14(2)22(29)24-10-8-15-13-25-17-7-5-4-6-16(15)17/h4-7,9,11-14,25H,3,8,10H2,1-2H3,(H,24,29)/t14-/m0/s1

InChI Key

GEBQAKQXBMDYAA-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14805842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.743

Distribution Coefficient, logD

2.743

Water Solubility, LogSw

-3.05

Polar Surface Area

71.870

Acid Dissociation Constant (pKa)

14.56

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

C887-1031 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C887-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-1031?
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What is the minimum amount of C887-1031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-1031
  • 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 C887-1031 available by request