C887-3032 Screening compound: N~1~-(1-methyl-3-phenylpropyl)-4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

C887-3032 Screening compound: N~1~-(1-methyl-3-phenylpropyl)-4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide
C887-3032 Screening compound: N~1~-(1-methyl-3-phenylpropyl)-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 C887-3032
N~1~-(1-methyl-3-phenylpropyl)-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

C887-3032

Molecular Formula

C22H24N4O3 (C22 H24 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(CCc1ccccc1)NC(CCCN(C1=O)N=Cn2c1cc1c2cco1)=O

InChI

InChI=1S/C22H24N4O3/c1-16(9-10-17-6-3-2-4-7-17)24-21(27)8-5-12-26-22(28)19-14-20-18(11-13-29-20)25(19)15-23-26/h2-4,6-7,11,13-16H,5,8-10,12H2,1H3,(H,24,27)/t16-/m0/s1

InChI Key

RNTSPGAEAXKKFS-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14806125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.970

Distribution Coefficient, logD

1.969

Water Solubility, LogSw

-2.40

Polar Surface Area

62.047

Acid Dissociation Constant (pKa)

14.96

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

C887-3032 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C887-3032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-3032?
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What is the minimum amount of C887-3032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-3032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-3032
  • 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 C887-3032 available by request