C887-1674 Screening compound: N~1~-[3-(2,6-dimethylpiperidino)propyl]-4-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

C887-1674 Screening compound: N~1~-[3-(2,6-dimethylpiperidino)propyl]-4-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide
C887-1674 Screening compound: N~1~-[3-(2,6-dimethylpiperidino)propyl]-4-[5-ethyl-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 C887-1674
N~1~-[3-(2,6-dimethylpiperidino)propyl]-4-[5-ethyl-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

C887-1674

Molecular Formula

C24H35N5O3 (C24 H35 N5 O3)

Compound Name

N~1~-[3-(2,6-dimethylpiperidino)propyl]-4-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

IUPAC name

N-[3-(26-dimethylpiperidin-1-yl)propyl]-4-{12-ethyl-9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}butanamide

SMILES

CCC(n1c2cc3c1cco3)=NN(CCCC(NCCCN1C(C)CCCC1C)=O)C2=O

InChI

InChI=1S/C24H35N5O3/c1-4-22-26-28(24(31)20-16-21-19(29(20)22)11-15-32-21)14-6-10-23(30)25-12-7-13-27-17(2)8-5-9-18(27)3/h11,15-18H,4-10,12-14H2,1-3H3,(H,25,30)

InChI Key

OXOHDMIZVGZROX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.57

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

1.635

Distribution Coefficient, logD

-1.524

Water Solubility, LogSw

-2.14

Polar Surface Area

65.769

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

10.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

62.50

C887-1674 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C887-1674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-1674?
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What is the minimum amount of C887-1674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-1674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-1674
  • 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 C887-1674 available by request