C507-0183 Screening compound: 1-{[1,4'-bipiperidine]-1'-carbonyl}-3-(3-chloro-4-methoxyphenyl)-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C507-0183 Screening compound: 1-{[1,4'-bipiperidine]-1'-carbonyl}-3-(3-chloro-4-methoxyphenyl)-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C507-0183 Screening compound: 1-{[1,4'-bipiperidine]-1'-carbonyl}-3-(3-chloro-4-methoxyphenyl)-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C507-0183
1-{[1,4'-bipiperidine]-1'-carbonyl}-3-(3-chloro-4-methoxyphenyl)-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

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

C507-0183

Molecular Formula

C29H32ClN5O3 (C29 H32 ClN5 O3)

Compound Name

1-{[1,4'-bipiperidine]-1'-carbonyl}-3-(3-chloro-4-methoxyphenyl)-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

1-{[14'-bipiperidine]-1'-carbonyl}-3-(3-chloro-4-methoxyphenyl)-5-methyl-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

Cn(c1c2cccc1)c1c2C(C(N(CC2)CCC2N2CCCCC2)=O)=NN(c(cc2)cc(Cl)c2OC)C1=O

InChI

InChI=1S/C29H32ClN5O3/c1-32-23-9-5-4-8-21(23)25-26(28(36)34-16-12-19(13-17-34)33-14-6-3-7-15-33)31-35(29(37)27(25)32)20-10-11-24(38-2)22(30)18-20/h4-5,8-11,18-19H,3,6-7,12-17H2,1-2H3

InChI Key

XWDKDLCLCFHCRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.06

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.099

Distribution Coefficient, logD

0.689

Water Solubility, LogSw

-4.77

Polar Surface Area

55.343

Acid Dissociation Constant (pKa)

28.06

Base Dissociation Constant (pKb)

10.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

C507-0183 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C507-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C507-0183?
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What is the minimum amount of C507-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C507-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C507-0183
  • 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 C507-0183 available by request