C887-1485 Screening compound: 5-ethyl-7-{4-[4-(4-methoxyphenyl)piperazino]-4-oxobutyl}furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

C887-1485 Screening compound: 5-ethyl-7-{4-[4-(4-methoxyphenyl)piperazino]-4-oxobutyl}furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
C887-1485 Screening compound: 5-ethyl-7-{4-[4-(4-methoxyphenyl)piperazino]-4-oxobutyl}furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C887-1485
5-ethyl-7-{4-[4-(4-methoxyphenyl)piperazino]-4-oxobutyl}furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

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

C887-1485

Molecular Formula

C25H29N5O4 (C25 H29 N5 O4)

Compound Name

5-ethyl-7-{4-[4-(4-methoxyphenyl)piperazino]-4-oxobutyl}furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

IUPAC name

12-ethyl-10-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-9-one

SMILES

CCC(n1c2cc3c1cco3)=NN(CCCC(N(CC1)CCN1c(cc1)ccc1OC)=O)C2=O

InChI

InChI=1S/C25H29N5O4/c1-3-23-26-29(25(32)21-17-22-20(30(21)23)10-16-34-22)11-4-5-24(31)28-14-12-27(13-15-28)18-6-8-19(33-2)9-7-18/h6-10,16-17H,3-5,11-15H2,1-2H3

InChI Key

ATAXDLQHFSKCDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.328

Distribution Coefficient, logD

2.324

Water Solubility, LogSw

-2.66

Polar Surface Area

66.114

Acid Dissociation Constant (pKa)

24.35

Base Dissociation Constant (pKb)

5.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C887-1485 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C887-1485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-1485?
Check Price and Availability of C887-1485, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C887-1485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-1485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-1485
  • 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 C887-1485 available by request