C887-1247 Screening compound: N~1~-cycloheptyl-4-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

C887-1247 Screening compound: N~1~-cycloheptyl-4-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide
C887-1247 Screening compound: N~1~-cycloheptyl-4-[5-methyl-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 C887-1247
N~1~-cycloheptyl-4-[5-methyl-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

C887-1247

Molecular Formula

C20H26N4O3 (C20 H26 N4 O3)

Compound Name

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

IUPAC name

N-cycloheptyl-4-{12-methyl-9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}butanamide

SMILES

CC(n1c2cc3c1cco3)=NN(CCCC(NC1CCCCCC1)=O)C2=O

InChI

InChI=1S/C20H26N4O3/c1-14-22-23(20(26)17-13-18-16(24(14)17)10-12-27-18)11-6-9-19(25)21-15-7-4-2-3-5-8-15/h10,12-13,15H,2-9,11H2,1H3,(H,21,25)

InChI Key

UQNYAWFELFOWIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.387

Distribution Coefficient, logD

2.385

Water Solubility, LogSw

-2.73

Polar Surface Area

62.354

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

C887-1247 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C887-1247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-1247?
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What is the minimum amount of C887-1247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-1247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-1247
  • 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 C887-1247 available by request