C507-0044 Screening compound: 3-(3-chloro-4-methoxyphenyl)-1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C507-0044 Screening compound: 3-(3-chloro-4-methoxyphenyl)-1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C507-0044 Screening compound: 3-(3-chloro-4-methoxyphenyl)-1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C507-0044
3-(3-chloro-4-methoxyphenyl)-1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-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

C507-0044

Molecular Formula

C29H25Cl2N5O3 (C29 H25 Cl2 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cn(c1c2cccc1)c1c2C(C(N(CC2)CCN2c2cc(Cl)ccc2)=O)=NN(c(cc2)cc(Cl)c2OC)C1=O

InChI

InChI=1S/C29H25Cl2N5O3/c1-33-23-9-4-3-8-21(23)25-26(28(37)35-14-12-34(13-15-35)19-7-5-6-18(30)16-19)32-36(29(38)27(25)33)20-10-11-24(39-2)22(31)17-20/h3-11,16-17H,12-15H2,1-2H3

InChI Key

XWHMTDADBUDPAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.969

Distribution Coefficient, logD

4.969

Water Solubility, LogSw

-5.30

Polar Surface Area

55.510

Acid Dissociation Constant (pKa)

28.31

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with C507-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C507-0044?
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What is the minimum amount of C507-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C507-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C507-0044
  • 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 C507-0044 available by request