C887-2909 Screening compound: N~1~-(3-chlorobenzyl)-4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

C887-2909 Screening compound: N~1~-(3-chlorobenzyl)-4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide
C887-2909 Screening compound: N~1~-(3-chlorobenzyl)-4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C887-2909
N~1~-(3-chlorobenzyl)-4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]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

C887-2909

Molecular Formula

C19H17ClN4O3 (C19 H17 ClN4 O3)

Compound Name

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

IUPAC name

N-[(3-chlorophenyl)methyl]-4-{9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}butanamide

SMILES

O=C(CCCN(C1=O)N=Cn2c1cc1c2cco1)NCc1cccc(Cl)c1

InChI

InChI=1S/C19H17ClN4O3/c20-14-4-1-3-13(9-14)11-21-18(25)5-2-7-24-19(26)16-10-17-15(6-8-27-17)23(16)12-22-24/h1,3-4,6,8-10,12H,2,5,7,11H2,(H,21,25)

InChI Key

GZRZUGXGOLIJLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.593

Distribution Coefficient, logD

1.593

Water Solubility, LogSw

-2.57

Polar Surface Area

62.605

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

C887-2909 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C887-2909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-2909?
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What is the minimum amount of C887-2909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-2909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-2909
  • 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 C887-2909 available by request