C507-0190 Screening compound: 3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

C507-0190 Screening compound: 3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide
C507-0190 Screening compound: 3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C507-0190
3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-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

C507-0190

Molecular Formula

C26H26ClN5O4 (C26 H26 ClN5 O4)

Compound Name

3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

IUPAC name

3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3H4H5H-pyridazino[45-b]indole-1-carboxamide

SMILES

Cn(c1c2cccc1)c1c2C(C(NCCCN(CCC2)C2=O)=O)=NN(c(cc2)cc(Cl)c2OC)C1=O

InChI

InChI=1S/C26H26ClN5O4/c1-30-19-8-4-3-7-17(19)22-23(25(34)28-12-6-14-31-13-5-9-21(31)33)29-32(26(35)24(22)30)16-10-11-20(36-2)18(27)15-16/h3-4,7-8,10-11,15H,5-6,9,12-14H2,1-2H3,(H,28,34)

InChI Key

QAIDSZNPEAOKLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.987

Distribution Coefficient, logD

1.987

Water Solubility, LogSw

-3.30

Polar Surface Area

77.368

Acid Dissociation Constant (pKa)

14.62

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C507-0190 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C507-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C507-0190?
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What is the minimum amount of C507-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C507-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C507-0190
  • 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 C507-0190 available by request