C887-0303 Screening compound: 5-ethyl-7-{2-[4-(3-methoxyphenyl)piperazino]-2-oxoethyl}furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

C887-0303 Screening compound: 5-ethyl-7-{2-[4-(3-methoxyphenyl)piperazino]-2-oxoethyl}furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
C887-0303 Screening compound: 5-ethyl-7-{2-[4-(3-methoxyphenyl)piperazino]-2-oxoethyl}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 C887-0303
5-ethyl-7-{2-[4-(3-methoxyphenyl)piperazino]-2-oxoethyl}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

C887-0303

Molecular Formula

C23H25N5O4 (C23 H25 N5 O4)

Compound Name

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

IUPAC name

12-ethyl-10-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-9-one

SMILES

CCC(n1c2cc3c1cco3)=NN(CC(N(CC1)CCN1c1cc(OC)ccc1)=O)C2=O

InChI

InChI=1S/C23H25N5O4/c1-3-21-24-27(23(30)19-14-20-18(28(19)21)7-12-32-20)15-22(29)26-10-8-25(9-11-26)16-5-4-6-17(13-16)31-2/h4-7,12-14H,3,8-11,15H2,1-2H3

InChI Key

YEQJSVIJSZYWFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.123

Distribution Coefficient, logD

2.123

Water Solubility, LogSw

-2.62

Polar Surface Area

66.136

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C887-0303 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C887-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-0303?
Check Price and Availability of C887-0303, 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 C887-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-0303
  • 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 C887-0303 available by request