C887-1316 Screening compound: N~1~-(1-benzyl-4-piperidyl)-4-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

C887-1316 Screening compound: N~1~-(1-benzyl-4-piperidyl)-4-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide
C887-1316 Screening compound: N~1~-(1-benzyl-4-piperidyl)-4-[5-methyl-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 C887-1316
N~1~-(1-benzyl-4-piperidyl)-4-[5-methyl-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

C887-1316

Molecular Formula

C25H29N5O3 (C25 H29 N5 O3)

Compound Name

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

IUPAC name

N-(1-benzylpiperidin-4-yl)-4-{12-methyl-9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}butanamide

SMILES

CC(n1c2cc3c1cco3)=NN(CCCC(NC1CCN(Cc3ccccc3)CC1)=O)C2=O

InChI

InChI=1S/C25H29N5O3/c1-18-27-29(25(32)22-16-23-21(30(18)22)11-15-33-23)12-5-8-24(31)26-20-9-13-28(14-10-20)17-19-6-3-2-4-7-19/h2-4,6-7,11,15-16,20H,5,8-10,12-14,17H2,1H3,(H,26,31)

InChI Key

XMOANTYYJAZSON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.795

Distribution Coefficient, logD

0.237

Water Solubility, LogSw

-2.31

Polar Surface Area

65.563

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C887-1316 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C887-1316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-1316?
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What is the minimum amount of C887-1316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-1316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-1316
  • 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 C887-1316 available by request