C887-1457 Screening compound: 7-{4-[4-(2,3-dimethylphenyl)piperazino]-4-oxobutyl}-5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

C887-1457 Screening compound: 7-{4-[4-(2,3-dimethylphenyl)piperazino]-4-oxobutyl}-5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
C887-1457 Screening compound: 7-{4-[4-(2,3-dimethylphenyl)piperazino]-4-oxobutyl}-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 C887-1457
7-{4-[4-(2,3-dimethylphenyl)piperazino]-4-oxobutyl}-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

C887-1457

Molecular Formula

C26H31N5O3 (C26 H31 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C26H31N5O3/c1-4-24-27-30(26(33)22-17-23-21(31(22)24)10-16-34-23)11-6-9-25(32)29-14-12-28(13-15-29)20-8-5-7-18(2)19(20)3/h5,7-8,10,16-17H,4,6,9,11-15H2,1-3H3

InChI Key

YSOVXOMKQKTQOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.347

Distribution Coefficient, logD

3.344

Water Solubility, LogSw

-3.52

Polar Surface Area

58.270

Acid Dissociation Constant (pKa)

24.35

Base Dissociation Constant (pKb)

5.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

C887-1457 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C887-1457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-1457?
Check Price and Availability of C887-1457, 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 C887-1457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-1457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-1457
  • 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 C887-1457 available by request