C887-1130 Screening compound: N~1~-{2-[4-(2,3-dimethylphenyl)piperazino]ethyl}-2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanamide

C887-1130 Screening compound: N~1~-{2-[4-(2,3-dimethylphenyl)piperazino]ethyl}-2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanamide
C887-1130 Screening compound: N~1~-{2-[4-(2,3-dimethylphenyl)piperazino]ethyl}-2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C887-1130
N~1~-{2-[4-(2,3-dimethylphenyl)piperazino]ethyl}-2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]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

C887-1130

Molecular Formula

C27H34N6O3 (C27 H34 N6 O3)

Compound Name

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

IUPAC name

N-{2-[4-(23-dimethylphenyl)piperazin-1-yl]ethyl}-2-{12-ethyl-9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}propanamide

SMILES

CCC(n1c2cc3c1cco3)=NN(C(C)C(NCCN(CC1)CCN1c1c(C)c(C)ccc1)=O)C2=O

InChI

InChI=1S/C27H34N6O3/c1-5-25-29-33(27(35)23-17-24-22(32(23)25)9-16-36-24)20(4)26(34)28-10-11-30-12-14-31(15-13-30)21-8-6-7-18(2)19(21)3/h6-9,16-17,20H,5,10-15H2,1-4H3,(H,28,34)/t20-/m0/s1

InChI Key

JRAWDWVNMXSWBO-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14805852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.385

Distribution Coefficient, logD

3.030

Water Solubility, LogSw

-3.67

Polar Surface Area

68.941

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

7.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

C887-1130 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C887-1130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-1130?
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What is the minimum amount of C887-1130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-1130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-1130
  • 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 C887-1130 available by request