C887-0325 Screening compound: 7-[2-(4-benzylpiperidino)-2-oxoethyl]-5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

C887-0325 Screening compound: 7-[2-(4-benzylpiperidino)-2-oxoethyl]-5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
C887-0325 Screening compound: 7-[2-(4-benzylpiperidino)-2-oxoethyl]-5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C887-0325
7-[2-(4-benzylpiperidino)-2-oxoethyl]-5-ethylfuro[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

C887-0325

Molecular Formula

C24H26N4O3 (C24 H26 N4 O3)

Compound Name

7-[2-(4-benzylpiperidino)-2-oxoethyl]-5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

IUPAC name

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

SMILES

CCC(n1c2cc3c1cco3)=NN(CC(N1CCC(Cc3ccccc3)CC1)=O)C2=O

InChI

InChI=1S/C24H26N4O3/c1-2-22-25-27(24(30)20-15-21-19(28(20)22)10-13-31-21)16-23(29)26-11-8-18(9-12-26)14-17-6-4-3-5-7-17/h3-7,10,13,15,18H,2,8-9,11-12,14,16H2,1H3

InChI Key

NNPHGJHQOBBSID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.351

Distribution Coefficient, logD

3.351

Water Solubility, LogSw

-3.61

Polar Surface Area

55.060

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C887-0325 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C887-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-0325?
Check Price and Availability of C887-0325, 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 C887-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-0325
  • 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 C887-0325 available by request