C887-1092 Screening compound: N-[2-(AZEPAN-1-YL)ETHYL]-2-{12-ETHYL-9-OXO-5-OXA-1,10,11-TRIAZATRICYCLO[6.4.0.0^(2,6)]DODECA-2(6),3,7,11-TETRAEN-10-YL}PROPANAMIDE

C887-1092 Screening compound: N-[2-(AZEPAN-1-YL)ETHYL]-2-{12-ETHYL-9-OXO-5-OXA-1,10,11-TRIAZATRICYCLO[6.4.0.0^(2,6)]DODECA-2(6),3,7,11-TETRAEN-10-YL}PROPANAMIDE
C887-1092 Screening compound: N-[2-(AZEPAN-1-YL)ETHYL]-2-{12-ETHYL-9-OXO-5-OXA-1,10,11-TRIAZATRICYCLO[6.4.0.0^(2,6)]DODECA-2(6),3,7,11-TETRAEN-10-YL}PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C887-1092
N-[2-(AZEPAN-1-YL)ETHYL]-2-{12-ETHYL-9-OXO-5-OXA-1,10,11-TRIAZATRICYCLO[6.4.0.0^(2,6)]DODECA-2(6),3,7,11-TETRAEN-10-YL}PROPANAMIDE

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

C887-1092

Molecular Formula

C21H29N5O3 (C21 H29 N5 O3)

Compound Name

N-[2-(AZEPAN-1-YL)ETHYL]-2-{12-ETHYL-9-OXO-5-OXA-1,10,11-TRIAZATRICYCLO[6.4.0.0^(2,6)]DODECA-2(6),3,7,11-TETRAEN-10-YL}PROPANAMIDE

IUPAC name

N-[2-(azepan-1-yl)ethyl]-2-{12-ethyl-9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}propanamide

SMILES

CCC(n1c2cc3c1cco3)=NN(C(C)C(NCCN1CCCCCC1)=O)C2=O

InChI

InChI=1S/C21H29N5O3/c1-3-19-23-26(21(28)17-14-18-16(25(17)19)8-13-29-18)15(2)20(27)22-9-12-24-10-6-4-5-7-11-24/h8,13-15H,3-7,9-12H2,1-2H3,(H,22,27)

InChI Key

QVGXWTWBZFORRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.134

Distribution Coefficient, logD

0.565

Water Solubility, LogSw

-2.77

Polar Surface Area

66.313

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

8.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

C887-1092 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C887-1092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-1092?
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What is the minimum amount of C887-1092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-1092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-1092
  • 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 C887-1092 available by request