C884-1657 Screening compound: N-[2-(azepan-1-yl)ethyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide

C884-1657 Screening compound: N-[2-(azepan-1-yl)ethyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide
C884-1657 Screening compound: N-[2-(azepan-1-yl)ethyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-1657
N-[2-(azepan-1-yl)ethyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-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

C884-1657

Molecular Formula

C23H31N5O2 (C23 H31 N5 O2)

Compound Name

N-[2-(azepan-1-yl)ethyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide

IUPAC name

N-[2-(azepan-1-yl)ethyl]-2-{3-methyl-4-oxo-3H4H5H-pyridazino[45-b]indol-5-yl}butanamide

SMILES

CCC(C(NCCN1CCCCCC1)=O)n1c(C(N(C)N=C2)=O)c2c2c1cccc2

InChI

InChI=1S/C23H31N5O2/c1-3-19(22(29)24-12-15-27-13-8-4-5-9-14-27)28-20-11-7-6-10-17(20)18-16-25-26(2)23(30)21(18)28/h6-7,10-11,16,19H,3-5,8-9,12-15H2,1-2H3,(H,24,29)/t19-/m0/s1

InChI Key

IPNRDWZXLMWZML-IBGZPJMESA-N

MDL Number (MFCD)

MFCD26966870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.53

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

2.586

Distribution Coefficient, logD

1.018

Water Solubility, LogSw

-2.71

Polar Surface Area

58.142

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

8.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

C884-1657 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C884-1657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-1657?
Check Price and Availability of C884-1657, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C884-1657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-1657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-1657
  • 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 C884-1657 available by request