C887-1413 Screening compound: N~1~-[3-(4-cyclohexylpiperazino)propyl]-4-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

C887-1413 Screening compound: N~1~-[3-(4-cyclohexylpiperazino)propyl]-4-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide
C887-1413 Screening compound: N~1~-[3-(4-cyclohexylpiperazino)propyl]-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 C887-1413
N~1~-[3-(4-cyclohexylpiperazino)propyl]-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

C887-1413

Molecular Formula

C26H38N6O3 (C26 H38 N6 O3)

Compound Name

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

IUPAC name

N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-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(NCCCN(CC1)CCN1C1CCCCC1)=O)C2=O

InChI

InChI=1S/C26H38N6O3/c1-20-28-31(26(34)23-19-24-22(32(20)23)10-18-35-24)13-5-9-25(33)27-11-6-12-29-14-16-30(17-15-29)21-7-3-2-4-8-21/h10,18-19,21H,2-9,11-17H2,1H3,(H,27,33)

InChI Key

FSQJCLOUEABBKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.336

Distribution Coefficient, logD

0.425

Water Solubility, LogSw

-1.94

Polar Surface Area

69.215

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.40

C887-1413 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C887-1413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-1413?
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What is the minimum amount of C887-1413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-1413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-1413
  • 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 C887-1413 available by request