C507-0109 Screening compound: N-[3-(azepan-1-yl)propyl]-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

C507-0109 Screening compound: N-[3-(azepan-1-yl)propyl]-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide
C507-0109 Screening compound: N-[3-(azepan-1-yl)propyl]-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C507-0109
N-[3-(azepan-1-yl)propyl]-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

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

C507-0109

Molecular Formula

C28H32ClN5O3 (C28 H32 ClN5 O3)

Compound Name

N-[3-(azepan-1-yl)propyl]-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

IUPAC name

N-[3-(azepan-1-yl)propyl]-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3H4H5H-pyridazino[45-b]indole-1-carboxamide

SMILES

Cn(c1c2cccc1)c1c2C(C(NCCCN2CCCCCC2)=O)=NN(c(cc2)cc(Cl)c2OC)C1=O

InChI

InChI=1S/C28H32ClN5O3/c1-32-22-11-6-5-10-20(22)24-25(27(35)30-14-9-17-33-15-7-3-4-8-16-33)31-34(28(36)26(24)32)19-12-13-23(37-2)21(29)18-19/h5-6,10-13,18H,3-4,7-9,14-17H2,1-2H3,(H,30,35)

InChI Key

PKVJWEZXVXITEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.05

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.962

Distribution Coefficient, logD

1.391

Water Solubility, LogSw

-4.66

Polar Surface Area

64.170

Acid Dissociation Constant (pKa)

14.62

Base Dissociation Constant (pKb)

9.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

C507-0109 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C507-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C507-0109?
Check Price and Availability of C507-0109, 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 C507-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C507-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C507-0109
  • 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 C507-0109 available by request