C507-0040 Screening compound: 3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(2-methylpiperidine-1-carbonyl)-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C507-0040 Screening compound: 3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(2-methylpiperidine-1-carbonyl)-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C507-0040 Screening compound: 3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(2-methylpiperidine-1-carbonyl)-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C507-0040
3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(2-methylpiperidine-1-carbonyl)-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

C507-0040

Molecular Formula

C25H25ClN4O3 (C25 H25 ClN4 O3)

Compound Name

3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(2-methylpiperidine-1-carbonyl)-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(2-methylpiperidine-1-carbonyl)-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

CC(CCCC1)N1C(C(c1c2n(C)c3c1cccc3)=NN(c(cc1)cc(Cl)c1OC)C2=O)=O

InChI

InChI=1S/C25H25ClN4O3/c1-15-8-6-7-13-29(15)24(31)22-21-17-9-4-5-10-19(17)28(2)23(21)25(32)30(27-22)16-11-12-20(33-3)18(26)14-16/h4-5,9-12,14-15H,6-8,13H2,1-3H3/t15-/m0/s1

InChI Key

RCWILKKYJXSKTJ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14762484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.007

Distribution Coefficient, logD

4.007

Water Solubility, LogSw

-4.70

Polar Surface Area

51.534

Acid Dissociation Constant (pKa)

26.38

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

C507-0040 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C507-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C507-0040?
Check Price and Availability of C507-0040, 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 C507-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C507-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C507-0040
  • 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 C507-0040 available by request