C887-3154 Screening compound: 4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(4-propoxybenzyl)butanamide

C887-3154 Screening compound: 4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(4-propoxybenzyl)butanamide
C887-3154 Screening compound: 4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(4-propoxybenzyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C887-3154
4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(4-propoxybenzyl)butanamide

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

C887-3154

Molecular Formula

C22H24N4O4 (C22 H24 N4 O4)

Compound Name

4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(4-propoxybenzyl)butanamide

IUPAC name

4-{9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}-N-[(4-propoxyphenyl)methyl]butanamide

SMILES

CCCOc1ccc(CNC(CCCN(C2=O)N=Cn3c2cc2c3cco2)=O)cc1

InChI

InChI=1S/C22H24N4O4/c1-2-11-29-17-7-5-16(6-8-17)14-23-21(27)4-3-10-26-22(28)19-13-20-18(9-12-30-20)25(19)15-24-26/h5-9,12-13,15H,2-4,10-11,14H2,1H3,(H,23,27)

InChI Key

NLNUFOSSAQOGNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.855

Distribution Coefficient, logD

1.855

Water Solubility, LogSw

-2.32

Polar Surface Area

70.023

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C887-3154 in Drug Discovery

Included in Screening Libraries

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

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 C887-3154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-3154?
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What is the minimum amount of C887-3154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-3154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-3154
  • 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 C887-3154 available by request